ChemSpider 2D Image | N-(4-Chlorobenzyl)-N-(4-{[(2E)-2-(2-chloro-6-fluorobenzylidene)hydrazino]carbonyl}phenyl)methanesulfonamide | C22H18Cl2FN3O3S

N-(4-Chlorobenzyl)-N-(4-{[(2E)-2-(2-chloro-6-fluorobenzylidene)hydrazino]carbonyl}phenyl)methanesulfonamide

  • Molecular FormulaC22H18Cl2FN3O3S
  • Average mass494.366 Da
  • Monoisotopic mass493.042999 Da
  • ChemSpider ID57279607

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzoic acid, 4-[[(4-chlorophenyl)methyl](methylsulfonyl)amino]-, 2-[(1E)-(2-chloro-6-fluorophenyl)methylene]hydrazide [ACD/Index Name]
N-(4-Chlorbenzyl)-N-(4-{[(2E)-2-(2-chlor-6-fluorbenzyliden)hydrazino]carbonyl}phenyl)methansulfonamid [German] [ACD/IUPAC Name]
N-(4-Chlorobenzyl)-N-(4-{[(2E)-2-(2-chloro-6-fluorobenzylidene)hydrazino]carbonyl}phenyl)methanesulfonamide [ACD/IUPAC Name]
N-(4-Chlorobenzyl)-N-(4-{[(2E)-2-(2-chloro-6-fluorobenzylidène)hydrazino]carbonyl}phényl)méthanesulfonamide [French] [ACD/IUPAC Name]
N-(4-{N`-[(1E)-(2-CHLORO-6-FLUOROPHENYL)METHYLIDENE]HYDRAZINECARBONYL}PHENYL)-N-[(4-CHLOROPHENYL)METHYL]METHANESULFONAMIDE
N-[(2-CHLORO-6-FLUOROPHENYL)METHYLIDENEAMINO]-4-[(4-CHLOROPHENYL)METHYL-METHYLSULFONYLAMINO]BENZAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 125.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2212.72
ACD/KOC (pH 5.5): 8627.67
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2212.25
ACD/KOC (pH 7.4): 8625.84
Polar Surface Area: 87 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 359.3±7.0 cm3

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