ChemSpider 2D Image | 2-{(3,5-Dichlorophenyl)[(4-methylphenyl)sulfonyl]amino}-N-[(E)-(2-fluorophenyl)methylene]ethanehydrazonic acid | C22H18Cl2FN3O3S

2-{(3,5-Dichlorophenyl)[(4-methylphenyl)sulfonyl]amino}-N-[(E)-(2-fluorophenyl)methylene]ethanehydrazonic acid

  • Molecular FormulaC22H18Cl2FN3O3S
  • Average mass494.366 Da
  • Monoisotopic mass493.042999 Da
  • ChemSpider ID57270855

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{(3,5-Dichlorophenyl)[(4-methylphenyl)sulfonyl]amino}-N-[(E)-(2-fluorophenyl)methylene]ethanehydrazonic acid [ACD/IUPAC Name]
2-{(3,5-Dichlorphenyl)[(4-methylphenyl)sulfonyl]amino}-N-[(E)-(2-fluorphenyl)methylen]ethanhydrazonsäure [German] [ACD/IUPAC Name]
Acide 2-{(3,5-dichlorophényl)[(4-méthylphényl)sulfonyl]amino}-N-[(E)-(2-fluorophényl)méthylène]éthanehydrazonique [French] [ACD/IUPAC Name]
Ethanehydrazonic acid, 2-[(3,5-dichlorophenyl)[(4-methylphenyl)sulfonyl]amino]-N-[(1E)-(2-fluorophenyl)methylene]- [ACD/Index Name]
2-(3,5-DICHLORO-N-(4-METHYLPHENYL)SULFONYLANILINO)-N-[(2-FLUOROPHENYL)METHYLIDENEAMINO]ACETAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 669.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 358.6±34.3 °C
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: 1
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 431.22
ACD/KOC (pH 5.5): 1120.53
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 418.79
ACD/KOC (pH 7.4): 1088.24
Polar Surface Area: 91 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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