ChemSpider 2D Image | Methyl 3-({3-[(methylsulfonyl)amino]phenyl}sulfamoyl)-2-thiophenecarboxylate | C13H14N2O6S3

Methyl 3-({3-[(methylsulfonyl)amino]phenyl}sulfamoyl)-2-thiophenecarboxylate

  • Molecular FormulaC13H14N2O6S3
  • Average mass390.455 Da
  • Monoisotopic mass390.001404 Da
  • ChemSpider ID21968830

More details:

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

2-Thiophenecarboxylic acid, 3-[[[3-[(methylsulfonyl)amino]phenyl]amino]sulfonyl]-, methyl ester [ACD/Index Name]
3-({3-[(Méthylsulfonyl)amino]phényl}sulfamoyl)-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-({3-[(methylsulfonyl)amino]phenyl}sulfamoyl)-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-({3-[(methylsulfonyl)amino]phenyl}sulfamoyl)-2-thiophencarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 587.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 309.3±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 90.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 8.90
ACD/KOC (pH 5.5): 164.49
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.09
ACD/KOC (pH 7.4): 38.67
Polar Surface Area: 164 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 73.0±3.0 dyne/cm
Molar Volume: 246.4±3.0 cm3

Click to predict properties on the Chemicalize site


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