ChemSpider 2D Image | 3-{1-[(3-Chlorophenyl)sulfonyl]-4-piperidinyl}-1-(3-methoxybenzyl)-2-methyl-1H-indole | C28H29ClN2O3S

3-{1-[(3-Chlorophenyl)sulfonyl]-4-piperidinyl}-1-(3-methoxybenzyl)-2-methyl-1H-indole

  • Molecular FormulaC28H29ClN2O3S
  • Average mass509.060 Da
  • Monoisotopic mass508.158752 Da
  • ChemSpider ID20388536

More details:

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

1H-Indole, 3-[1-[(3-chlorophenyl)sulfonyl]-4-piperidinyl]-1-[(3-methoxyphenyl)methyl]-2-methyl- [ACD/Index Name]
3-{1-[(3-Chlorophenyl)sulfonyl]-4-piperidinyl}-1-(3-methoxybenzyl)-2-methyl-1H-indole [ACD/IUPAC Name]
3-{1-[(3-Chlorophényl)sulfonyl]-4-pipéridinyl}-1-(3-méthoxybenzyl)-2-méthyl-1H-indole [French] [ACD/IUPAC Name]
3-{1-[(3-Chlorphenyl)sulfonyl]-4-piperidinyl}-1-(3-methoxybenzyl)-2-methyl-1H-indol [German] [ACD/IUPAC Name]
3-{1-[(3-chlorophenyl)sulfonyl]piperidin-4-yl}-1-(3-methoxybenzyl)-2-methyl-1H-indole

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

Density: 1.3±0.1 g/cm3
Boiling Point: 701.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 378.0±35.7 °C
Index of Refraction: 1.637
Molar Refractivity: 142.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 6.60
ACD/BCF (pH 5.5): 61492.91
ACD/KOC (pH 5.5): 93201.27
ACD/LogD (pH 7.4): 6.60
ACD/BCF (pH 7.4): 61492.91
ACD/KOC (pH 7.4): 93201.27
Polar Surface Area: 60 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 396.2±7.0 cm3

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