ChemSpider 2D Image | N-{[(3aS,4R,6aR)-4-Hydroxyhexahydrocyclopenta[c]pyrrol-2(1H)-yl]carbamoyl}-4-methylbenzenesulfonamide | C15H21N3O4S

N-{[(3aS,4R,6aR)-4-Hydroxyhexahydrocyclopenta[c]pyrrol-2(1H)-yl]carbamoyl}-4-methylbenzenesulfonamide

  • Molecular FormulaC15H21N3O4S
  • Average mass339.410 Da
  • Monoisotopic mass339.125275 Da
  • ChemSpider ID24698279

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzenesulfonamide, N-[[[(3aS,4R,6aR)-hexahydro-4-hydroxycyclopenta[c]pyrrol-2(1H)-yl]amino]carbonyl]-4-methyl- [ACD/Index Name]
N-{[(3aS,4R,6aR)-4-Hydroxyhexahydrocyclopenta[c]pyrrol-2(1H)-yl]carbamoyl}-4-methylbenzenesulfonamide [ACD/IUPAC Name]
N-{[(3aS,4R,6aR)-4-Hydroxyhexahydrocyclopenta[c]pyrrol-2(1H)-yl]carbamoyl}-4-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-{[(3aS,4R,6aR)-4-Hydroxyhexahydrocyclopenta[c]pyrrol-2(1H)-yl]carbamoyl}-4-methylbenzolsulfonamid [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL477947/

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.644
Molar Refractivity: 85.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.18
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.60
ACD/LogD (pH 7.4): -1.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 68.4±5.0 dyne/cm
Molar Volume: 237.2±5.0 cm3

Click to predict properties on the Chemicalize site


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