ChemSpider 2D Image | 5-{[4-(Propylsulfamoyl)phenyl]sulfamoyl}-3-thiophenecarboxylic acid | C14H16N2O6S3

5-{[4-(Propylsulfamoyl)phenyl]sulfamoyl}-3-thiophenecarboxylic acid

  • Molecular FormulaC14H16N2O6S3
  • Average mass404.482 Da
  • Monoisotopic mass404.017059 Da
  • ChemSpider ID22458468

More details:

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

3-Thiophenecarboxylic acid, 5-[[[4-[(propylamino)sulfonyl]phenyl]amino]sulfonyl]- [ACD/Index Name]
5-{[4-(Propylsulfamoyl)phenyl]sulfamoyl}-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-{[4-(Propylsulfamoyl)phenyl]sulfamoyl}-3-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-{[4-(propylsulfamoyl)phényl]sulfamoyl}-3-thiophènecarboxylique [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: 636.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 339.0±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 94.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.28
ACD/LogD (pH 7.4): -1.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 175 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 67.5±3.0 dyne/cm
Molar Volume: 264.2±3.0 cm3

Click to predict properties on the Chemicalize site


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