ChemSpider 2D Image | 2-Chloro-5-[(4-ethyl-1-piperazinyl)sulfonyl]-N-(4-fluorobenzyl)-N-methylbenzamide | C21H25ClFN3O3S

2-Chloro-5-[(4-ethyl-1-piperazinyl)sulfonyl]-N-(4-fluorobenzyl)-N-methylbenzamide

  • Molecular FormulaC21H25ClFN3O3S
  • Average mass453.958 Da
  • Monoisotopic mass453.128906 Da
  • ChemSpider ID22437888

More details:

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

2-Chlor-5-[(4-ethyl-1-piperazinyl)sulfonyl]-N-(4-fluorbenzyl)-N-methylbenzamid [German] [ACD/IUPAC Name]
2-Chloro-5-[(4-ethyl-1-piperazinyl)sulfonyl]-N-(4-fluorobenzyl)-N-methylbenzamide [ACD/IUPAC Name]
2-Chloro-5-[(4-éthyl-1-pipérazinyl)sulfonyl]-N-(4-fluorobenzyl)-N-méthylbenzamide [French] [ACD/IUPAC Name]
Benzamide, 2-chloro-5-[(4-ethyl-1-piperazinyl)sulfonyl]-N-[(4-fluorophenyl)methyl]-N-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 619.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.3±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 116.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 7.31
ACD/KOC (pH 5.5): 52.22
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 180.76
ACD/KOC (pH 7.4): 1291.84
Polar Surface Area: 69 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 345.6±3.0 cm3

Click to predict properties on the Chemicalize site


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