ChemSpider 2D Image | 4-({[(4-Fluorophenyl)sulfonyl][3-(methylsulfanyl)phenyl]amino}methyl)benzoic acid | C21H18FNO4S2

4-({[(4-Fluorophenyl)sulfonyl][3-(methylsulfanyl)phenyl]amino}methyl)benzoic acid

  • Molecular FormulaC21H18FNO4S2
  • Average mass431.500 Da
  • Monoisotopic mass431.066132 Da
  • ChemSpider ID59198030

More details:

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

4-({[(4-Fluorophenyl)sulfonyl][3-(methylsulfanyl)phenyl]amino}methyl)benzoic acid [ACD/IUPAC Name]
4-({[(4-Fluorphenyl)sulfonyl][3-(methylsulfanyl)phenyl]amino}methyl)benzoesäure [German] [ACD/IUPAC Name]
Acide 4-({[(4-fluorophényl)sulfonyl][3-(méthylsulfanyl)phényl]amino}méthyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[(4-fluorophenyl)sulfonyl][3-(methylthio)phenyl]amino]methyl]- [ACD/Index 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: 632.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 336.0±34.3 °C
Index of Refraction: 1.684
Molar Refractivity: 112.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 68.06
ACD/KOC (pH 5.5): 288.20
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 2.05
ACD/KOC (pH 7.4): 8.68
Polar Surface Area: 108 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 296.5±5.0 cm3

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