ChemSpider 2D Image | N-(1-{[1-(3-Iodophenyl)-1H-pyrrol-2-yl]carbonyl}-4-piperidinyl)-N-methylmethanesulfonamide | C18H22IN3O3S

N-(1-{[1-(3-Iodophenyl)-1H-pyrrol-2-yl]carbonyl}-4-piperidinyl)-N-methylmethanesulfonamide

  • Molecular FormulaC18H22IN3O3S
  • Average mass487.355 Da
  • Monoisotopic mass487.042633 Da
  • ChemSpider ID34315544

More details:

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

Methanesulfonamide, N-[1-[[1-(3-iodophenyl)-1H-pyrrol-2-yl]carbonyl]-4-piperidinyl]-N-methyl- [ACD/Index Name]
N-(1-{[1-(3-Iodophenyl)-1H-pyrrol-2-yl]carbonyl}-4-piperidinyl)-N-methylmethanesulfonamide [ACD/IUPAC Name]
N-(1-{[1-(3-Iodophényl)-1H-pyrrol-2-yl]carbonyl}-4-pipéridinyl)-N-méthylméthanesulfonamide [French] [ACD/IUPAC Name]
N-(1-{[1-(3-Iodphenyl)-1H-pyrrol-2-yl]carbonyl}-4-piperidinyl)-N-methylmethansulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 607.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 321.2±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 112.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.53
ACD/KOC (pH 5.5): 333.80
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.53
ACD/KOC (pH 7.4): 333.80
Polar Surface Area: 71 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 302.6±7.0 cm3

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