ChemSpider 2D Image | N-[(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-chloro-4-(difluoromethoxy)benzenesulfonamide | C20H20ClF2N3O3S

N-[(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-chloro-4-(difluoromethoxy)benzenesulfonamide

  • Molecular FormulaC20H20ClF2N3O3S
  • Average mass455.906 Da
  • Monoisotopic mass455.088196 Da
  • ChemSpider ID33401415

More details:

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

Benzenesulfonamide, 3-chloro-4-(difluoromethoxy)-N-[[3,5-dimethyl-1-(phenylmethyl)-1H-pyrazol-4-yl]methyl]- [ACD/Index Name]
N-[(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-chlor-4-(difluormethoxy)benzolsulfonamid [German] [ACD/IUPAC Name]
N-[(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-chloro-4-(difluoromethoxy)benzenesulfonamide [ACD/IUPAC Name]
N-[(1-Benzyl-3,5-diméthyl-1H-pyrazol-4-yl)méthyl]-3-chloro-4-(difluorométhoxy)benzènesulfonamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 604.0±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: 319.1±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 112.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3071.50
ACD/KOC (pH 5.5): 10907.21
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3054.94
ACD/KOC (pH 7.4): 10848.40
Polar Surface Area: 82 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 329.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement