ChemSpider 2D Image | N-(4-Fluorobenzyl)-N-isobutyl-6-{[1-(methylsulfonyl)-4-piperidinyl]amino}-3-pyridinesulfonamide | C22H31FN4O4S2

N-(4-Fluorobenzyl)-N-isobutyl-6-{[1-(methylsulfonyl)-4-piperidinyl]amino}-3-pyridinesulfonamide

  • Molecular FormulaC22H31FN4O4S2
  • Average mass498.634 Da
  • Monoisotopic mass498.177063 Da
  • ChemSpider ID35035255

More details:

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

3-Pyridinesulfonamide, N-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)-6-[[1-(methylsulfonyl)-4-piperidinyl]amino]- [ACD/Index Name]
N-(4-Fluorbenzyl)-N-isobutyl-6-{[1-(methylsulfonyl)-4-piperidinyl]amino}-3-pyridinsulfonamid [German] [ACD/IUPAC Name]
N-(4-Fluorobenzyl)-N-(2-Methylpropyl)-6-{[1-(Methylsulfonyl)piperidin-4-Yl]amino}pyridine-3-Sulfonamide
N-(4-Fluorobenzyl)-N-isobutyl-6-{[1-(methylsulfonyl)-4-piperidinyl]amino}-3-pyridinesulfonamide [ACD/IUPAC Name]
N-(4-Fluorobenzyl)-N-isobutyl-6-{[1-(méthylsulfonyl)-4-pipéridinyl]amino}-3-pyridinesulfonamide [French] [ACD/IUPAC Name]
3QQ

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

Density: 1.4±0.1 g/cm3
Boiling Point: 659.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 352.8±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 127.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 337.98
ACD/KOC (pH 5.5): 2230.41
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 347.30
ACD/KOC (pH 7.4): 2291.92
Polar Surface Area: 116 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 367.5±5.0 cm3

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