ChemSpider 2D Image | 2-{[(2-Chloro-4-fluorophenyl)sulfonyl]amino}-5-[4-(2-cyanoethyl)-1-piperazinyl]benzoic acid | C20H20ClFN4O4S

2-{[(2-Chloro-4-fluorophenyl)sulfonyl]amino}-5-[4-(2-cyanoethyl)-1-piperazinyl]benzoic acid

  • Molecular FormulaC20H20ClFN4O4S
  • Average mass466.914 Da
  • Monoisotopic mass466.087769 Da
  • ChemSpider ID22982428

More details:






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

2-{[(2-Chlor-4-fluorphenyl)sulfonyl]amino}-5-[4-(2-cyanethyl)-1-piperazinyl]benzoesäure [German] [ACD/IUPAC Name]
2-{[(2-Chloro-4-fluorophenyl)sulfonyl]amino}-5-[4-(2-cyanoethyl)-1-piperazinyl]benzoic acid [ACD/IUPAC Name]
Acide 2-{[(2-chloro-4-fluorophényl)sulfonyl]amino}-5-[4-(2-cyanoéthyl)-1-pipérazinyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(2-chloro-4-fluorophenyl)sulfonyl]amino]-5-[4-(2-cyanoethyl)-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 694.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 373.6±34.3 °C
Index of Refraction: 1.630
Molar Refractivity: 113.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 1.48
ACD/KOC (pH 5.5): 13.35
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 64.6±3.0 dyne/cm
Molar Volume: 318.0±3.0 cm3

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