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

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

  • Molecular FormulaC13H14N2O6S3
  • Average mass390.455 Da
  • Monoisotopic mass390.001404 Da
  • ChemSpider ID70230338

More details:

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

2-Thiophenecarboxylic acid, 3-[[[2-[(methylsulfonyl)amino]phenyl]amino]sulfonyl]-, methyl ester [ACD/Index Name]
3-({2-[(Méthylsulfonyl)amino]phényl}sulfamoyl)-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-({2-[(methylsulfonyl)amino]phenyl}sulfamoyl)-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-({2-[(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: 583.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 306.4±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: 1.24
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.62
ACD/KOC (pH 5.5): 148.04
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 2.89
ACD/KOC (pH 7.4): 56.18
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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