ChemSpider 2D Image | Methyl 3-methyl-5-({[4-(methylsulfamoyl)phenyl]sulfonyl}amino)-2-thiophenecarboxylate | C14H16N2O6S3

Methyl 3-methyl-5-({[4-(methylsulfamoyl)phenyl]sulfonyl}amino)-2-thiophenecarboxylate

  • Molecular FormulaC14H16N2O6S3
  • Average mass404.482 Da
  • Monoisotopic mass404.017059 Da
  • ChemSpider ID22360411

More details:

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

2-Thiophenecarboxylic acid, 3-methyl-5-[[[4-[(methylamino)sulfonyl]phenyl]sulfonyl]amino]-, methyl ester [ACD/Index Name]
3-Méthyl-5-({[4-(méthylsulfamoyl)phényl]sulfonyl}amino)-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-methyl-5-({[4-(methylsulfamoyl)phenyl]sulfonyl}amino)-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-methyl-5-({[4-(methylsulfamoyl)phenyl]sulfonyl}amino)-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: 573.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 300.7±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 94.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 43.77
ACD/KOC (pH 5.5): 504.50
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 5.19
ACD/KOC (pH 7.4): 59.78
Polar Surface Area: 164 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 272.8±3.0 cm3

Click to predict properties on the Chemicalize site


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