ChemSpider 2D Image | N-{4-[(5S)-5-(2-Chloro-6-fluorophenyl)-1-(2-thienylcarbonyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethanesulfonamide | C22H19ClFN3O3S2

N-{4-[(5S)-5-(2-Chloro-6-fluorophenyl)-1-(2-thienylcarbonyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethanesulfonamide

  • Molecular FormulaC22H19ClFN3O3S2
  • Average mass491.986 Da
  • Monoisotopic mass491.054047 Da
  • ChemSpider ID62455043

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Ethanesulfonamide, N-[4-[(5S)-5-(2-chloro-6-fluorophenyl)-4,5-dihydro-1-(2-thienylcarbonyl)-1H-pyrazol-3-yl]phenyl]- [ACD/Index Name]
N-{4-[(5S)-5-(2-Chlor-6-fluorphenyl)-1-(2-thienylcarbonyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethansulfonamid [German] [ACD/IUPAC Name]
N-{4-[(5S)-5-(2-Chloro-6-fluorophenyl)-1-(2-thienylcarbonyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}ethanesulfonamide [ACD/IUPAC Name]
N-{4-[(5S)-5-(2-Chloro-6-fluorophényl)-1-(2-thiénylcarbonyl)-4,5-dihydro-1H-pyrazol-3-yl]phényl}éthanesulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 602.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.3±34.3 °C
Index of Refraction: 1.677
Molar Refractivity: 126.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 305.97
ACD/KOC (pH 5.5): 2092.35
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 269.01
ACD/KOC (pH 7.4): 1839.59
Polar Surface Area: 115 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 336.0±7.0 cm3

Click to predict properties on the Chemicalize site


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