ChemSpider 2D Image | N-(2-Chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)-4-biphenylyl]methyl}-1H-imidazole-4-sulfonamide | C25H23ClFN3O4S2

N-(2-Chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)-4-biphenylyl]methyl}-1H-imidazole-4-sulfonamide

  • Molecular FormulaC25H23ClFN3O4S2
  • Average mass548.049 Da
  • Monoisotopic mass547.080261 Da
  • ChemSpider ID24670372

More details:






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

1221277-91-3 [RN]
1H-Imidazole-4-sulfonamide, N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-N-[[3'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]methyl]- [ACD/Index Name]
N-(2-Chlor-6-fluorbenzyl)-1-methyl-N-{[3'-(methylsulfonyl)-4-biphenylyl]methyl}-1H-imidazol-4-sulfonamid [German] [ACD/IUPAC Name]
N-(2-Chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)-4-biphenylyl]methyl}-1H-imidazole-4-sulfonamide [ACD/IUPAC Name]
N-(2-Chloro-6-fluorobenzyl)-1-méthyl-N-{[3'-(méthylsulfonyl)-4-biphénylyl]méthyl}-1H-imidazole-4-sulfonamide [French] [ACD/IUPAC Name]
N-(2-Chloro-6-Fluorobenzyl)-1-Methyl-N-{[3'-(Methylsulfonyl)biphenyl-4-Yl]methyl}-1h-Imidazole-4-Sulfonamide
G58

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 797.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 436.1±35.7 °C
Index of Refraction: 1.633
Molar Refractivity: 142.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 313.01
ACD/KOC (pH 5.5): 2127.72
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 313.04
ACD/KOC (pH 7.4): 2127.90
Polar Surface Area: 106 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 397.8±7.0 cm3

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