ChemSpider 2D Image | (1S,2S)-2-{[4-(Cyclohexylsulfamoyl)phenyl]carbamoyl}cyclohexanecarboxylic acid | C20H28N2O5S

(1S,2S)-2-{[4-(Cyclohexylsulfamoyl)phenyl]carbamoyl}cyclohexanecarboxylic acid

  • Molecular FormulaC20H28N2O5S
  • Average mass408.512 Da
  • Monoisotopic mass408.171906 Da
  • ChemSpider ID20736174

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1S,2S)-2-{[4-(Cyclohexylsulfamoyl)phenyl]carbamoyl}cyclohexancarbonsäure [German] [ACD/IUPAC Name]
(1S,2S)-2-{[4-(Cyclohexylsulfamoyl)phenyl]carbamoyl}cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide (1S,2S)-2-{[4-(cyclohexylsulfamoyl)phényl]carbamoyl}cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 2-[[[4-[(cyclohexylamino)sulfonyl]phenyl]amino]carbonyl]-, (1S,2S)- [ACD/Index Name]
(1S)-2-((4-(N-cyclohexylsulfamoyl)phenyl)carbamoyl)cyclohexanecarboxylic acid
(1S,2R)-2-({4-[(cyclohexylamino)sulfonyl]anilino}carbonyl)cyclohexanecarboxylic acid
1242777-13-4 [RN]
2-[({4-[(cyclohexylamino)sulfonyl]phenyl}amino)carbonyl]cyclohexanecarboxylic acid

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.598
    Molar Refractivity: 105.3±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.52
    ACD/LogD (pH 5.5): 2.16
    ACD/BCF (pH 5.5): 15.06
    ACD/KOC (pH 5.5): 128.57
    ACD/LogD (pH 7.4): 0.35
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.02
    Polar Surface Area: 121 Å2
    Polarizability: 41.8±0.5 10-24cm3
    Surface Tension: 60.7±5.0 dyne/cm
    Molar Volume: 308.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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