ChemSpider 2D Image | N-(2-{[4-Cyano-2-(trifluoromethyl)phenyl]amino}ethyl)ethanesulfonamide | C12H14F3N3O2S

N-(2-{[4-Cyano-2-(trifluoromethyl)phenyl]amino}ethyl)ethanesulfonamide

  • Molecular FormulaC12H14F3N3O2S
  • Average mass321.319 Da
  • Monoisotopic mass321.075867 Da
  • ChemSpider ID30234912

More details:

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

Ethanesulfonamide, N-[2-[[4-cyano-2-(trifluoromethyl)phenyl]amino]ethyl]- [ACD/Index Name]
N-(2-{[4-Cyan-2-(trifluormethyl)phenyl]amino}ethyl)ethansulfonamid [German] [ACD/IUPAC Name]
N-(2-{[4-Cyano-2-(trifluoromethyl)phenyl]amino}ethyl)ethanesulfonamide [ACD/IUPAC Name]
N-(2-{[4-Cyano-2-(trifluorométhyl)phényl]amino}éthyl)éthanesulfonamide [French] [ACD/IUPAC Name]
N-(2-{[4-CYANO-2-(TRIFLUOROMETHYL)PHENYL]AMINO}ETHYL)ETHANE-1-SULFONAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 467.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 236.4±31.5 °C
Index of Refraction: 1.523
Molar Refractivity: 71.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.61
ACD/KOC (pH 5.5): 383.84
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.59
ACD/KOC (pH 7.4): 383.68
Polar Surface Area: 90 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 232.2±5.0 cm3

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