ChemSpider 2D Image | 4-[(4E)-4-{(2E)-3-[(4-Chlorophenyl)amino]-1-hydroxy-2-buten-1-ylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonamide | C20H19ClN4O4S

4-[(4E)-4-{(2E)-3-[(4-Chlorophenyl)amino]-1-hydroxy-2-buten-1-ylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonamide

  • Molecular FormulaC20H19ClN4O4S
  • Average mass446.907 Da
  • Monoisotopic mass446.081543 Da
  • ChemSpider ID30656808

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(4E)-4-{(2E)-3-[(4-Chlorophenyl)amino]-1-hydroxy-2-buten-1-ylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonamide [ACD/IUPAC Name]
4-[(4E)-4-{(2E)-3-[(4-Chlorophényl)amino]-1-hydroxy-2-butén-1-ylidène}-3-méthyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzènesulfonamide [French] [ACD/IUPAC Name]
4-[(4E)-4-{(2E)-3-[(4-Chlorphenyl)amino]-1-hydroxy-2-buten-1-yliden}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[(4E)-4-[(2E)-3-[(4-chlorophenyl)amino]-1-hydroxy-2-buten-1-ylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 593.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 312.9±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 114.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.32
ACD/KOC (pH 5.5): 28.21
ACD/LogD (pH 7.4): -1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 308.2±7.0 cm3

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