ChemSpider 2D Image | Methyl 3-({[4-(cyclopropylsulfamoyl)phenyl]sulfonyl}amino)-2-thiophenecarboxylate | C15H16N2O6S3

Methyl 3-({[4-(cyclopropylsulfamoyl)phenyl]sulfonyl}amino)-2-thiophenecarboxylate

  • Molecular FormulaC15H16N2O6S3
  • Average mass416.492 Da
  • Monoisotopic mass416.017059 Da
  • ChemSpider ID127264741

More details:

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

2-Thiophenecarboxylic acid, 3-[[[4-[(cyclopropylamino)sulfonyl]phenyl]sulfonyl]amino]-, methyl ester [ACD/Index Name]
3-({[4-(Cyclopropylsulfamoyl)phényl]sulfonyl}amino)-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-({[4-(cyclopropylsulfamoyl)phenyl]sulfonyl}amino)-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-({[4-(cyclopropylsulfamoyl)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: 1.6±0.1 g/cm3
Boiling Point: 608.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 321.6±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 97.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.29
ACD/KOC (pH 5.5): 508.54
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 8.80
ACD/KOC (pH 7.4): 103.34
Polar Surface Area: 164 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 76.2±5.0 dyne/cm
Molar Volume: 260.3±5.0 cm3

Click to predict properties on the Chemicalize site


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