ChemSpider 2D Image | N-[(1S)-1-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethyl]-4-methylbenzenesulfonamide | C18H18ClN3O3S2

N-[(1S)-1-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethyl]-4-methylbenzenesulfonamide

  • Molecular FormulaC18H18ClN3O3S2
  • Average mass423.937 Da
  • Monoisotopic mass423.047821 Da
  • ChemSpider ID30657017

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzenesulfonamide, N-[(1S)-1-[5-[[(4-chlorophenyl)methyl]thio]-1,3,4-oxadiazol-2-yl]ethyl]-4-methyl- [ACD/Index Name]
N-[(1S)-1-{5-[(4-Chlorbenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethyl]-4-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
N-[(1S)-1-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethyl]-4-methylbenzenesulfonamide [ACD/IUPAC Name]
N-[(1S)-1-{5-[(4-Chlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}éthyl]-4-méthylbenzènesulfonamide [French] [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: 592.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 312.0±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 108.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 392.69
ACD/KOC (pH 5.5): 2501.01
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 328.04
ACD/KOC (pH 7.4): 2089.27
Polar Surface Area: 119 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 69.0±5.0 dyne/cm
Molar Volume: 294.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement