ChemSpider 2D Image | Ethyl 6-[[(2-chloro-4-fluorophenyl)sulfonyl]amino]-1-cyclohexene-1-carboxylate | C15H17ClFNO4S

Ethyl 6-[[(2-chloro-4-fluorophenyl)sulfonyl]amino]-1-cyclohexene-1-carboxylate

  • Molecular FormulaC15H17ClFNO4S
  • Average mass361.816 Da
  • Monoisotopic mass361.055084 Da
  • ChemSpider ID23340245

More details:

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

1028449-67-3 [RN]
1-Cyclohexene-1-carboxylic acid, 6-[[(2-chloro-4-fluorophenyl)sulfonyl]amino]-, ethyl ester [ACD/Index Name]
6-{[(2-Chloro-4-fluorophényl)sulfonyl]amino}-1-cyclohexène-1-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-[[(2-chloro-4-fluorophenyl)sulfonyl]amino]-1-cyclohexene-1-carboxylate
Ethyl 6-{[(2-chloro-4-fluorophenyl)sulfonyl]amino}-1-cyclohexene-1-carboxylate [ACD/IUPAC Name]
Ethyl-6-{[(2-chlor-4-fluorphenyl)sulfonyl]amino}-1-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]
ethyl 6-(2-chloro-4-fluorophenylsulfonamido)cyclohex-1-enecarboxylate
ethyl 6-{[(2-chloro-4-fluorophenyl)sulfonyl]amino}cyclohex-1-ene-1-carboxylate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL512743/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 468.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 237.0±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 85.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 241.13
ACD/KOC (pH 5.5): 1765.32
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 240.49
ACD/KOC (pH 7.4): 1760.59
Polar Surface Area: 81 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 258.6±5.0 cm3

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