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Search term: QISJFDJBGICRGI-SJORKVTESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-Chloro-N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]benzenesulfonamide | C18H17ClN2O4S

3-Chloro-N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]benzenesulfonamide

  • Molecular FormulaC18H17ClN2O4S
  • Average mass392.857 Da
  • Monoisotopic mass392.059753 Da
  • ChemSpider ID23334828

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Chlor-N-[(3S,4R)-6-cyan-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]benzolsulfonamid [German] [ACD/IUPAC Name]
3-Chloro-N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]benzenesulfonamide [ACD/IUPAC Name]
3-Chloro-N-[(3S,4R)-6-cyano-3-hydroxy-2,2-diméthyl-3,4-dihydro-2H-chromén-4-yl]benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 3-chloro-N-[(3S,4R)-6-cyano-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]- [ACD/Index Name]
3-chloro-N-((3S,4R)-6-cyano-3-hydroxy-2,2-dimethylchroman-4-yl)benzenesulfonamide
CHEMBL454169

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

Density: 1.5±0.1 g/cm3
Boiling Point: 568.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 297.6±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 97.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 284.10
ACD/KOC (pH 5.5): 1985.00
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 276.53
ACD/KOC (pH 7.4): 1932.08
Polar Surface Area: 108 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 265.5±5.0 cm3

Click to predict properties on the Chemicalize site


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