ChemSpider 2D Image | N-[(3aR,6aS)-Hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-(hydroxymethyl)benzenesulfonamide | C15H21N3O4S

N-[(3aR,6aS)-Hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-(hydroxymethyl)benzenesulfonamide

  • Molecular FormulaC15H21N3O4S
  • Average mass339.410 Da
  • Monoisotopic mass339.125275 Da
  • ChemSpider ID24699268

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzenesulfonamide, N-[[[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]amino]carbonyl]-4-(hydroxymethyl)- [ACD/Index Name]
N-[(3aR,6aS)-Hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-(hydroxymethyl)benzenesulfonamide [ACD/IUPAC Name]
N-[(3aR,6aS)-Hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-(hydroxyméthyl)benzènesulfonamide [French] [ACD/IUPAC Name]
N-[(3aR,6aS)-Hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-(hydroxymethyl)benzolsulfonamid [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL478125/

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: 1.647
Molar Refractivity: 85.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.08
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.92
ACD/LogD (pH 7.4): -1.28
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: 69.9±5.0 dyne/cm
Molar Volume: 236.6±5.0 cm3

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