ChemSpider 2D Image | N-[(5-Fluoro-1-benzothiophen-2-yl)methyl]-2-methyl-5-nitrobenzenesulfonamide | C16H13FN2O4S2

N-[(5-Fluoro-1-benzothiophen-2-yl)methyl]-2-methyl-5-nitrobenzenesulfonamide

  • Molecular FormulaC16H13FN2O4S2
  • Average mass380.414 Da
  • Monoisotopic mass380.030060 Da
  • ChemSpider ID30725709

More details:

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

Benzenesulfonamide, N-[(5-fluorobenzo[b]thien-2-yl)methyl]-2-methyl-5-nitro- [ACD/Index Name]
N-[(5-Fluor-1-benzothiophen-2-yl)methyl]-2-methyl-5-nitrobenzolsulfonamid [German] [ACD/IUPAC Name]
N-[(5-Fluoro-1-benzothiophen-2-yl)methyl]-2-methyl-5-nitrobenzenesulfonamide [ACD/IUPAC Name]
N-[(5-Fluoro-1-benzothiophén-2-yl)méthyl]-2-méthyl-5-nitrobenzènesulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 590.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.6±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 95.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 992.38
ACD/KOC (pH 5.5): 4859.29
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 961.60
ACD/KOC (pH 7.4): 4708.57
Polar Surface Area: 129 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 256.6±3.0 cm3

Click to predict properties on the Chemicalize site


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