ChemSpider 2D Image | 4-{Benzyl[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl}benzoic acid | C20H14F4N2O4S

4-{Benzyl[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl}benzoic acid

  • Molecular FormulaC20H14F4N2O4S
  • Average mass454.395 Da
  • Monoisotopic mass454.061035 Da
  • ChemSpider ID58124928

More details:

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

4-{Benzyl[3-fluor-5-(trifluormethyl)-2-pyridinyl]sulfamoyl}benzoesäure [German] [ACD/IUPAC Name]
4-{Benzyl[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]sulfamoyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{benzyl[3-fluoro-5-(trifluorométhyl)-2-pyridinyl]sulfamoyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl](phenylmethyl)amino]sulfonyl]- [ACD/Index Name]
4-{benzyl[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]sulfamoyl}benzoic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 585.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 307.9±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 102.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 15.12
ACD/KOC (pH 5.5): 62.55
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 1.45
ACD/KOC (pH 7.4): 5.99
Polar Surface Area: 96 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 301.3±3.0 cm3

Click to predict properties on the Chemicalize site


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