ChemSpider 2D Image | 3-({[5-(Methylsulfamoyl)-2-thienyl]methyl}sulfamoyl)benzoic acid | C13H14N2O6S3

3-({[5-(Methylsulfamoyl)-2-thienyl]methyl}sulfamoyl)benzoic acid

  • Molecular FormulaC13H14N2O6S3
  • Average mass390.455 Da
  • Monoisotopic mass390.001404 Da
  • ChemSpider ID24399454

More details:

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

3-({[5-(Methylsulfamoyl)-2-thienyl]methyl}sulfamoyl)benzoesäure [German] [ACD/IUPAC Name]
3-({[5-(Methylsulfamoyl)-2-thienyl]methyl}sulfamoyl)benzoic acid [ACD/IUPAC Name]
Acide 3-({[5-(méthylsulfamoyl)-2-thiényl]méthyl}sulfamoyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[[5-[(methylamino)sulfonyl]-2-thienyl]methyl]amino]sulfonyl]- [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: 665.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 356.3±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 90.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.67
ACD/LogD (pH 7.4): -1.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 253.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement