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

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

  • Molecular FormulaC16H11BrF3N3O2S
  • Average mass446.242 Da
  • Monoisotopic mass444.970734 Da
  • ChemSpider ID21743986

More details:

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

3-Brom-N-[2-(1H-pyrazol-1-yl)-5-(trifluormethyl)phenyl]benzolsulfonamid [German] [ACD/IUPAC Name]
3-Bromo-N-[2-(1H-pyrazol-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide [ACD/IUPAC Name]
3-Bromo-N-[2-(1H-pyrazol-1-yl)-5-(trifluorométhyl)phényl]benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 3-bromo-N-[2-(1H-pyrazol-1-yl)-5-(trifluoromethyl)phenyl]- [ACD/Index Name]
3-BROMO-N-[2-(1H-PYRAZOL-1-YL)-5-(TRIFLUOROMETHYL)PHENYL]BENZENE-1-SULFONAMIDE
3-BROMO-N-[2-(PYRAZOL-1-YL)-5-(TRIFLUOROMETHYL)PHENYL]BENZENESULFONAMIDE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 505.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 259.7±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 96.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2629.45
ACD/KOC (pH 5.5): 9445.11
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 298.04
ACD/KOC (pH 7.4): 1070.57
Polar Surface Area: 72 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 271.7±7.0 cm3

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