ChemSpider 2D Image | Methyl 4-({[4-(methylsulfamoyl)phenyl]sulfonyl}amino)-3-thiophenecarboxylate | C13H14N2O6S3

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

  • Molecular FormulaC13H14N2O6S3
  • Average mass390.455 Da
  • Monoisotopic mass390.001404 Da
  • ChemSpider ID30406403

More details:

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

3-Thiophenecarboxylic acid, 4-[[[4-[(methylamino)sulfonyl]phenyl]sulfonyl]amino]-, methyl ester [ACD/Index Name]
4-({[4-(Méthylsulfamoyl)phényl]sulfonyl}amino)-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-({[4-(methylsulfamoyl)phenyl]sulfonyl}amino)-3-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-4-({[4-(methylsulfamoyl)phenyl]sulfonyl}amino)-3-thiophencarboxylat [German] [ACD/IUPAC Name]
METHYL 4-[4-(METHYLSULFAMOYL)BENZENESULFONAMIDO]THIOPHENE-3-CARBOXYLATE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 571.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.6±32.9 °C
Index of Refraction: 1.622
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: 2.94
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 25.93
ACD/KOC (pH 5.5): 353.63
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 6.43
ACD/KOC (pH 7.4): 87.67
Polar Surface Area: 164 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 62.2±3.0 dyne/cm
Molar Volume: 256.5±3.0 cm3

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