ChemSpider 2D Image | Ethyl 1,3,5-trimethyl-4-{[3-(trifluoromethyl)phenyl]sulfamoyl}-1H-pyrrole-2-carboxylate | C17H19F3N2O4S

Ethyl 1,3,5-trimethyl-4-{[3-(trifluoromethyl)phenyl]sulfamoyl}-1H-pyrrole-2-carboxylate

  • Molecular FormulaC17H19F3N2O4S
  • Average mass404.404 Da
  • Monoisotopic mass404.101776 Da
  • ChemSpider ID29027462

More details:

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

1,3,5-Triméthyl-4-{[3-(trifluorométhyl)phényl]sulfamoyl}-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-2-carboxylic acid, 1,3,5-trimethyl-4-[[[3-(trifluoromethyl)phenyl]amino]sulfonyl]-, ethyl ester [ACD/Index Name]
Ethyl 1,3,5-trimethyl-4-{[3-(trifluoromethyl)phenyl]sulfamoyl}-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-1,3,5-trimethyl-4-{[3-(trifluormethyl)phenyl]sulfamoyl}-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 503.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 258.1±32.9 °C
Index of Refraction: 1.542
Molar Refractivity: 94.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2274.17
ACD/KOC (pH 5.5): 8774.83
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1310.82
ACD/KOC (pH 7.4): 5057.77
Polar Surface Area: 86 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 38.6±7.0 dyne/cm
Molar Volume: 299.3±7.0 cm3

Click to predict properties on the Chemicalize site


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