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Search term: HWAPFDFOIKEYLL (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 4-[4-(4-Bromophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide | C16H11BrF3N3O2S

4-[4-(4-Bromophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide

  • Molecular FormulaC16H11BrF3N3O2S
  • Average mass446.242 Da
  • Monoisotopic mass444.970734 Da
  • ChemSpider ID24652742

More details:






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

4-[4-(4-Bromophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide [ACD/IUPAC Name]
4-[4-(4-Bromophényl)-3-(trifluorométhyl)-1H-pyrazol-1-yl]benzènesulfonamide [French] [ACD/IUPAC Name]
4-[4-(4-Bromphenyl)-3-(trifluormethyl)-1H-pyrazol-1-yl]benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[4-(4-bromophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]- [ACD/Index Name]
SC-558

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 565.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 295.6±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 95.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 466.66
ACD/KOC (pH 5.5): 2831.83
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 464.19
ACD/KOC (pH 7.4): 2816.81
Polar Surface Area: 86 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 263.8±7.0 cm3

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