ChemSpider 2D Image | N-{4-[(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]phenyl}-5-(1,2-dithiolan-3-yl)pentanamide | C22H26N2O5S3

N-{4-[(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]phenyl}-5-(1,2-dithiolan-3-yl)pentanamide

  • Molecular FormulaC22H26N2O5S3
  • Average mass494.647 Da
  • Monoisotopic mass494.100372 Da
  • ChemSpider ID21718524

More details:

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

1,2-Dithiolane-3-pentanamide, N-[4-[[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]amino]phenyl]- [ACD/Index Name]
N-{4-[(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]phenyl}-5-(1,2-dithiolan-3-yl)pentanamid [German] [ACD/IUPAC Name]
N-{4-[(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]phenyl}-5-(1,2-dithiolan-3-yl)pentanamide [ACD/IUPAC Name]
N-{4-[(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]phényl}-5-(1,2-dithiolan-3-yl)pentanamide [French] [ACD/IUPAC Name]
949316-55-6 [RN]
N-[4-(2,3-dihydro-1,4-benzodioxine-6-sulfonamido)phenyl]-5-(1,2-dithiolan-3-yl)pentanamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.652
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 827.85
ACD/KOC (pH 5.5): 4267.62
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 784.81
ACD/KOC (pH 7.4): 4045.74
Polar Surface Area: 153 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 353.8±3.0 cm3

Click to predict properties on the Chemicalize site


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