ChemSpider 2D Image | 4-{[4-(2,4-Difluorophenyl)-2,5-dioxo-1-(3-propoxyphenyl)-2,5-dihydro-1H-pyrrol-3-yl]amino}benzenesulfonamide | C25H21F2N3O5S

4-{[4-(2,4-Difluorophenyl)-2,5-dioxo-1-(3-propoxyphenyl)-2,5-dihydro-1H-pyrrol-3-yl]amino}benzenesulfonamide

  • Molecular FormulaC25H21F2N3O5S
  • Average mass513.513 Da
  • Monoisotopic mass513.117004 Da
  • ChemSpider ID118697759

More details:

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

4-{[4-(2,4-Difluorophenyl)-2,5-dioxo-1-(3-propoxyphenyl)-2,5-dihydro-1H-pyrrol-3-yl]amino}benzenesulfonamide [ACD/IUPAC Name]
4-{[4-(2,4-Difluorophényl)-2,5-dioxo-1-(3-propoxyphényl)-2,5-dihydro-1H-pyrrol-3-yl]amino}benzènesulfonamide [French] [ACD/IUPAC Name]
4-{[4-(2,4-Difluorphenyl)-2,5-dioxo-1-(3-propoxyphenyl)-2,5-dihydro-1H-pyrrol-3-yl]amino}benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[4-(2,4-difluorophenyl)-2,5-dihydro-2,5-dioxo-1-(3-propoxyphenyl)-1H-pyrrol-3-yl]amino]- [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: 681.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 365.7±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 128.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 174.93
ACD/KOC (pH 5.5): 1402.99
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 174.62
ACD/KOC (pH 7.4): 1400.48
Polar Surface Area: 127 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 349.7±3.0 cm3

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