ChemSpider 2D Image | 4-Chloro-3-({2-[(1,1-dioxidotetrahydro-3-thiophenyl)amino]ethyl}sulfamoyl)benzoic acid | C13H17ClN2O6S2

4-Chloro-3-({2-[(1,1-dioxidotetrahydro-3-thiophenyl)amino]ethyl}sulfamoyl)benzoic acid

  • Molecular FormulaC13H17ClN2O6S2
  • Average mass396.867 Da
  • Monoisotopic mass396.021667 Da
  • ChemSpider ID57255370

More details:

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

4-Chlor-3-({2-[(1,1-dioxidotetrahydro-3-thiophenyl)amino]ethyl}sulfamoyl)benzoesäure [German] [ACD/IUPAC Name]
4-Chloro-3-({2-[(1,1-dioxidotetrahydro-3-thiophenyl)amino]ethyl}sulfamoyl)benzoic acid [ACD/IUPAC Name]
Acide 4-chloro-3-({2-[(1,1-dioxydotétrahydro-3-thiophényl)amino]éthyl}sulfamoyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-chloro-3-[[[2-[(tetrahydro-1,1-dioxido-3-thienyl)amino]ethyl]amino]sulfonyl]- [ACD/Index Name]
4-chloro-3-[({2-[(1,1-dioxidotetrahydro-3-thienyl)amino]ethyl}amino)sulfonyl]benzoic acid
MFCD29909065

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

Density: 1.6±0.1 g/cm3
Boiling Point: 709.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 382.6±35.7 °C
Index of Refraction: 1.639
Molar Refractivity: 88.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.11
ACD/LogD (pH 5.5): -1.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 75.8±5.0 dyne/cm
Molar Volume: 246.1±5.0 cm3

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