ChemSpider 2D Image | N-Benzyl-3-chloro-4-{2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethoxy}benzenesulfonamide | C25H25ClFN3O4S

N-Benzyl-3-chloro-4-{2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethoxy}benzenesulfonamide

  • Molecular FormulaC25H25ClFN3O4S
  • Average mass518.000 Da
  • Monoisotopic mass517.123840 Da
  • ChemSpider ID2227932

More details:

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

Benzenesulfonamide, 3-chloro-4-[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethoxy]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-3-chlor-4-{2-[4-(2-fluorphenyl)-1-piperazinyl]-2-oxoethoxy}benzolsulfonamid [German] [ACD/IUPAC Name]
N-Benzyl-3-chloro-4-{2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethoxy}benzenesulfonamide [ACD/IUPAC Name]
N-Benzyl-3-chloro-4-{2-[4-(2-fluorophényl)-1-pipérazinyl]-2-oxoéthoxy}benzènesulfonamide [French] [ACD/IUPAC Name]
N-BENZYL-3-CHLORO-4-{2-[4-(2-FLUOROPHENYL)PIPERAZIN-1-YL]-2-OXOETHOXY}BENZENE-1-SULFONAMIDE
N-BENZYL-3-CHLORO-4-{2-[4-(2-FLUOROPHENYL)PIPERAZIN-1-YL]-2-OXOETHOXY}BENZENESULFONAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 717.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.7±35.7 °C
Index of Refraction: 1.621
Molar Refractivity: 133.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1595.11
ACD/KOC (pH 5.5): 6825.52
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1594.66
ACD/KOC (pH 7.4): 6823.61
Polar Surface Area: 87 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 379.9±3.0 cm3

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