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Search term: AHAKCNBOMBWXCH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-{2-[(4-Methylphenyl)sulfanyl]ethyl}-4-(1-piperidinylsulfonyl)benzenesulfonamide | C20H26N2O4S3

N-{2-[(4-Methylphenyl)sulfanyl]ethyl}-4-(1-piperidinylsulfonyl)benzenesulfonamide

  • Molecular FormulaC20H26N2O4S3
  • Average mass454.626 Da
  • Monoisotopic mass454.105469 Da
  • ChemSpider ID33794318

More details:

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

Benzenesulfonamide, N-[2-[(4-methylphenyl)thio]ethyl]-4-(1-piperidinylsulfonyl)- [ACD/Index Name]
N-{2-[(4-Methylphenyl)sulfanyl]ethyl}-4-(1-piperidinylsulfonyl)benzenesulfonamide [ACD/IUPAC Name]
N-{2-[(4-Méthylphényl)sulfanyl]éthyl}-4-(1-pipéridinylsulfonyl)benzènesulfonamide [French] [ACD/IUPAC Name]
N-{2-[(4-Methylphenyl)sulfanyl]ethyl}-4-(1-piperidinylsulfonyl)benzolsulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 623.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.7±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 119.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 569.80
ACD/KOC (pH 5.5): 3266.97
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 568.02
ACD/KOC (pH 7.4): 3256.72
Polar Surface Area: 126 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 327.6±5.0 cm3

Click to predict properties on the Chemicalize site


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