ChemSpider 2D Image | 2-Bromo-N-[3-(1H-pyrazol-4-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide | C16H11BrF3N3O2S

2-Bromo-N-[3-(1H-pyrazol-4-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide

  • Molecular FormulaC16H11BrF3N3O2S
  • Average mass446.242 Da
  • Monoisotopic mass444.970734 Da
  • ChemSpider ID84401866

More details:

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

2-Brom-N-[3-(1H-pyrazol-4-yl)phenyl]-5-(trifluormethyl)benzolsulfonamid [German] [ACD/IUPAC Name]
2-Bromo-N-[3-(1H-pyrazol-4-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide [ACD/IUPAC Name]
2-Bromo-N-[3-(1H-pyrazol-4-yl)phényl]-5-(trifluorométhyl)benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 2-bromo-N-[3-(1H-pyrazol-4-yl)phenyl]-5-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 604.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 319.2±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 93.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 677.88
ACD/KOC (pH 5.5): 3671.38
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 229.46
ACD/KOC (pH 7.4): 1242.76
Polar Surface Area: 83 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 265.1±3.0 cm3

Click to predict properties on the Chemicalize site


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