ChemSpider 2D Image | 4-{5-[4-(~2~H_3_)Methylphenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}benzenesulfonamide | C17H11D3F3N3O2S

4-{5-[4-(2H3)Methylphenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}benzenesulfonamide

  • Molecular FormulaC17H11D3F3N3O2S
  • Average mass384.391 Da
  • Monoisotopic mass384.094727 Da
  • ChemSpider ID60498091

  • Non-standard isotope - Non-standard isotope

More details:

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

4-{5-[4-(2H3)Methylphenyl]-3-(trifluormethyl)-1H-pyrazol-1-yl}benzolsulfonamid [German] [ACD/IUPAC Name]
4-{5-[4-(2H3)Methylphenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}benzenesulfonamide [ACD/IUPAC Name]
4-{5-[4-(2H3)Méthylphényl]-3-(trifluorométhyl)-1H-pyrazol-1-yl}benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[5-[4-(methyl-d3)phenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl]- [ACD/Index Name]
4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide [ACD/IUPAC Name]
544686-18-2 [RN]
Celecoxib-d3 (methyl-d3)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 529.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 273.7±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 91.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 169.53
ACD/KOC (pH 5.5): 1371.79
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 168.65
ACD/KOC (pH 7.4): 1364.73
Polar Surface Area: 86 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 266.4±7.0 cm3

Click to predict properties on the Chemicalize site


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