ChemSpider 2D Image | 3-(Dimethylsulfamoyl)benzyl 3-sulfamoyl-2-thiophenecarboxylate | C14H16N2O6S3

3-(Dimethylsulfamoyl)benzyl 3-sulfamoyl-2-thiophenecarboxylate

  • Molecular FormulaC14H16N2O6S3
  • Average mass404.482 Da
  • Monoisotopic mass404.017059 Da
  • ChemSpider ID22819664

More details:

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

2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-, [3-[(dimethylamino)sulfonyl]phenyl]methyl ester [ACD/Index Name]
3-(Dimethylsulfamoyl)benzyl 3-sulfamoyl-2-thiophenecarboxylate [ACD/IUPAC Name]
3-(Dimethylsulfamoyl)benzyl-3-sulfamoyl-2-thiophencarboxylat [German] [ACD/IUPAC Name]
3-Sulfamoyl-2-thiophènecarboxylate de 3-(diméthylsulfamoyl)benzyle [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: 635.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 337.9±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 95.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.30
ACD/KOC (pH 5.5): 184.79
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.22
ACD/KOC (pH 7.4): 183.38
Polar Surface Area: 169 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 272.0±3.0 cm3

Click to predict properties on the Chemicalize site


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