ChemSpider 2D Image | 4-{[(Z)-(6-Bromo-2-ethoxy-4-oxo-2H-chromen-3(4H)-ylidene)methyl]amino}benzenesulfonamide | C18H17BrN2O5S

4-{[(Z)-(6-Bromo-2-ethoxy-4-oxo-2H-chromen-3(4H)-ylidene)methyl]amino}benzenesulfonamide

  • Molecular FormulaC18H17BrN2O5S
  • Average mass453.307 Da
  • Monoisotopic mass452.004150 Da
  • ChemSpider ID26633180

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{[(Z)-(6-Brom-2-ethoxy-4-oxo-2H-chromen-3(4H)-yliden)methyl]amino}benzolsulfonamid [German] [ACD/IUPAC Name]
4-{[(Z)-(6-Bromo-2-ethoxy-4-oxo-2H-chromen-3(4H)-ylidene)methyl]amino}benzenesulfonamide [ACD/IUPAC Name]
4-{[(Z)-(6-Bromo-2-éthoxy-4-oxo-2H-chromén-3(4H)-ylidène)méthyl]amino}benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[(Z)-(6-bromo-2-ethoxy-4-oxo-2H-1-benzopyran-3(4H)-ylidene)methyl]amino]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 636.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 338.5±34.3 °C
Index of Refraction: 1.683
Molar Refractivity: 104.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.34
ACD/KOC (pH 5.5): 558.80
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.23
ACD/KOC (pH 7.4): 557.49
Polar Surface Area: 116 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 72.0±5.0 dyne/cm
Molar Volume: 275.1±5.0 cm3

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