ChemSpider 2D Image | 2-(2-Naphthyloxy)-N-(4-sulfamoylphenyl)acetamide | C18H16N2O4S

2-(2-Naphthyloxy)-N-(4-sulfamoylphenyl)acetamide

  • Molecular FormulaC18H16N2O4S
  • Average mass356.396 Da
  • Monoisotopic mass356.083069 Da
  • ChemSpider ID1068444

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-(2-Naphthyloxy)-N-(4-sulfamoylphenyl)acetamid [German] [ACD/IUPAC Name]
2-(2-Naphthyloxy)-N-(4-sulfamoylphenyl)acetamide [ACD/IUPAC Name]
2-(2-Naphtyloxy)-N-(4-sulfamoylphényl)acétamide [French] [ACD/IUPAC Name]
328024-15-3 [RN]
Acetamide, N-[4-(aminosulfonyl)phenyl]-2-(2-naphthalenyloxy)- [ACD/Index Name]
N-[4-(Aminosulfonyl)phenyl]-2-(2-naphthalenyloxy)acetamide
2-(naphthalen-2-yloxy)-N-(4-sulfamoylphenyl)acetamide
2-(Naphthalen-2-yloxy)-N-(4-sulfamoyl-phenyl)-acetamide
2-naphthalen-2-yloxy-N-(4-sulfamoylphenyl)acetamide
MFCD01961599
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BIM-0002910.P001 [DBID]
CBMicro_003089 [DBID]
ZINC01088085 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.682
    Molar Refractivity: 96.2±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.88
    ACD/LogD (pH 5.5): 2.55
    ACD/BCF (pH 5.5): 50.83
    ACD/KOC (pH 5.5): 579.20
    ACD/LogD (pH 7.4): 2.55
    ACD/BCF (pH 7.4): 50.69
    ACD/KOC (pH 7.4): 577.65
    Polar Surface Area: 107 Å2
    Polarizability: 38.1±0.5 10-24cm3
    Surface Tension: 66.0±3.0 dyne/cm
    Molar Volume: 254.0±3.0 cm3

    Predicted data is generated using the US Environmental Protection Agency�s EPISuite™

                            
     Log Octanol-Water Partition Coef (SRC):
        Log Kow (KOWWIN v1.67 estimate) =  3.08
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  586.01  (Adapted Stein & Brown method)
        Melting Pt (deg C):  252.78  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  5.64E-013  (Modified Grain method)
        Subcooled liquid VP: 1.71E-010 mm Hg (25 deg C, Mod-Grain method)
    
     Water Solubility Estimate from Log Kow (WSKOW v1.41):
        Water Solubility at 25 deg C (mg/L):  13.23
           log Kow used: 3.08 (estimated)
           no-melting pt equation used
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  7.3345 mg/L
    
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Neutral Organics
    
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   1.45E-015  atm-m3/mole
       Group Method:   Incomplete
     Henrys LC [VP/WSol estimate using EPI values]:  1.999E-014 atm-m3/mole
    
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  3.08  (KowWin est)
      Log Kaw used:  -13.227  (HenryWin est)
          Log Koa (KOAWIN v1.10 estimate):  16.307
          Log Koa (experimental database):  None
    
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   0.9199
       Biowin2 (Non-Linear Model)     :   0.9472
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   2.2992  (weeks-months)
       Biowin4 (Primary Survey Model) :   3.6161  (days-weeks  )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :   0.1135
       Biowin6 (MITI Non-Linear Model):   0.0218
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model): -0.5775
     Ready Biodegradability Prediction:   NO
    
    Hydrocarbon Biodegradation (BioHCwin v1.01):
        Structure incompatible with current estimation method!
    
     Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
      Vapor pressure (liquid/subcooled):  2.28E-008 Pa (1.71E-010 mm Hg)
      Log Koa (Koawin est  ): 16.307
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  132 
           Octanol/air (Koa) model:  4.98E+003 
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  1 
           Mackay model           :  1 
           Octanol/air (Koa) model:  1 
    
     Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
       Hydroxyl Radicals Reaction:
          OVERALL OH Rate Constant = 206.9277 E-12 cm3/molecule-sec
          Half-Life =     0.052 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     0.620 Hrs
       Ozone Reaction:
          No Ozone Reaction Estimation
       Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
        Note: the sorbed fraction may be resistant to atmospheric oxidation
    
     Soil Adsorption Coefficient (PCKOCWIN v1.66):
          Koc    :  6721
          Log Koc:  3.827 
    
     Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
        Rate constants can NOT be estimated for this structure!
    
     Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
       Log BCF from regression-based method = 1.673 (BCF = 47.1)
           log Kow used: 3.08 (estimated)
    
     Volatilization from Water:
        Henry LC:  1.45E-015 atm-m3/mole  (estimated by Bond SAR Method)
        Half-Life from Model River: 7.623E+011  hours   (3.176E+010 days)
        Half-Life from Model Lake : 8.316E+012  hours   (3.465E+011 days)
    
     Removal In Wastewater Treatment:
        Total removal:               6.43  percent
        Total biodegradation:        0.13  percent
        Total sludge adsorption:     6.30  percent
        Total to Air:                0.00  percent
          (using 10000 hr Bio P,A,S)
    
     Level III Fugacity Model:
               Mass Amount    Half-Life    Emissions
                (percent)        (hr)       (kg/hr)
       Air       9.83e-005       1.24         1000       
       Water     12.6            900          1000       
       Soil      87.1            1.8e+003     1000       
       Sediment  0.343           8.1e+003     0          
         Persistence Time: 1.79e+003 hr
    
    
    
    
                        

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