ChemSpider 2D Image | 6-[(3,4-Difluorophenyl)sulfanyl]-5-{[(4-methoxybenzyl)amino]methyl}-3-pyridinesulfonamide | C20H19F2N3O3S2

6-[(3,4-Difluorophenyl)sulfanyl]-5-{[(4-methoxybenzyl)amino]methyl}-3-pyridinesulfonamide

  • Molecular FormulaC20H19F2N3O3S2
  • Average mass451.510 Da
  • Monoisotopic mass451.083588 Da
  • ChemSpider ID24678871

More details:

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

3-Pyridinesulfonamide, 6-[(3,4-difluorophenyl)thio]-5-[[[(4-methoxyphenyl)methyl]amino]methyl]- [ACD/Index Name]
6-[(3,4-Difluorophenyl)sulfanyl]-5-{[(4-methoxybenzyl)amino]methyl}-3-pyridinesulfonamide [ACD/IUPAC Name]
6-[(3,4-Difluorophényl)sulfanyl]-5-{[(4-méthoxybenzyl)amino]méthyl}-3-pyridinesulfonamide [French] [ACD/IUPAC Name]
6-[(3,4-Difluorphenyl)sulfanyl]-5-{[(4-methoxybenzyl)amino]methyl}-3-pyridinsulfonamid [German] [ACD/IUPAC Name]
6-[(3,4-Difluorophenyl)thio]-5-{[(4-methoxybenzyl)-amino]methyl}pyridine-3-sulfonamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 636.2±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: 338.6±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 113.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 10.99
ACD/KOC (pH 5.5): 89.16
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 140.41
ACD/KOC (pH 7.4): 1139.25
Polar Surface Area: 128 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 309.9±5.0 cm3

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