ChemSpider 2D Image | Methyl 3-{[4-(dimethylsulfamoyl)phenyl]sulfamoyl}-2-thiophenecarboxylate | C14H16N2O6S3

Methyl 3-{[4-(dimethylsulfamoyl)phenyl]sulfamoyl}-2-thiophenecarboxylate

  • Molecular FormulaC14H16N2O6S3
  • Average mass404.482 Da
  • Monoisotopic mass404.017059 Da
  • ChemSpider ID22083264

More details:

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

2-Thiophenecarboxylic acid, 3-[[[4-[(dimethylamino)sulfonyl]phenyl]amino]sulfonyl]-, methyl ester [ACD/Index Name]
3-{[4-(Diméthylsulfamoyl)phényl]sulfamoyl}-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-{[4-(dimethylsulfamoyl)phenyl]sulfamoyl}-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-{[4-(dimethylsulfamoyl)phenyl]sulfamoyl}-2-thiophencarboxylat [German] [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: 583.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.5±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 95.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.28
ACD/KOC (pH 5.5): 191.25
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 1.36
ACD/KOC (pH 7.4): 23.05
Polar Surface Area: 155 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 271.5±3.0 cm3

Click to predict properties on the Chemicalize site


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