ChemSpider 2D Image | 2,5-Difluoro-N-{2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]ethyl}benzenesulfonamide | C18H18F2N4O4S

2,5-Difluoro-N-{2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]ethyl}benzenesulfonamide

  • Molecular FormulaC18H18F2N4O4S
  • Average mass424.422 Da
  • Monoisotopic mass424.101685 Da
  • ChemSpider ID58511731

More details:

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

2,5-Difluor-N-{2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]ethyl}benzolsulfonamid [German] [ACD/IUPAC Name]
2,5-Difluoro-N-{2-[3-(4-methoxyphenyl)-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]ethyl}benzenesulfonamide [ACD/IUPAC Name]
2,5-Difluoro-N-{2-[3-(4-méthoxyphényl)-4-méthyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]éthyl}benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, N-[2-[4,5-dihydro-3-(4-methoxyphenyl)-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl]ethyl]-2,5-difluoro- [ACD/Index Name]
2,5-difluoro-N-(2-(3-(4-methoxyphenyl)-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)ethyl)benzenesulfonamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 546.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 284.1±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 103.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.35
ACD/KOC (pH 5.5): 207.17
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 12.98
ACD/KOC (pH 7.4): 217.84
Polar Surface Area: 100 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 295.8±7.0 cm3

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