ChemSpider 2D Image | N-[1-(4-Fluorophenyl)-3-(2-thienyl)-1H-pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide | C21H12F7N3O2S2

N-[1-(4-Fluorophenyl)-3-(2-thienyl)-1H-pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide

  • Molecular FormulaC21H12F7N3O2S2
  • Average mass535.458 Da
  • Monoisotopic mass535.025940 Da
  • ChemSpider ID2024287

More details:

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

Benzenesulfonamide, N-[1-(4-fluorophenyl)-3-(2-thienyl)-1H-pyrazol-5-yl]-3,5-bis(trifluoromethyl)- [ACD/Index Name]
N-[1-(4-Fluorophenyl)-3-(2-thienyl)-1H-pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide [ACD/IUPAC Name]
N-[1-(4-Fluorophényl)-3-(2-thiényl)-1H-pyrazol-5-yl]-3,5-bis(trifluorométhyl)benzènesulfonamide [French] [ACD/IUPAC Name]
N-[1-(4-Fluorphenyl)-3-(2-thienyl)-1H-pyrazol-5-yl]-3,5-bis(trifluormethyl)benzolsulfonamid [German] [ACD/IUPAC Name]
CHEMBL208472
N-[2-(4-FLUOROPHENYL)-5-THIOPHEN-2-YLPYRAZOL-3-YL]-3,5-BIS(TRIFLUOROMETHYL)BENZENESULFONAMIDE
SP3

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

Density: 1.6±0.1 g/cm3
Boiling Point: 561.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.2±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 116.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 3409.40
ACD/KOC (pH 5.5): 7708.37
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 202.89
ACD/KOC (pH 7.4): 458.71
Polar Surface Area: 101 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 342.2±7.0 cm3

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