ChemSpider 2D Image | 1-((4-(2-AMINOETHYL)PHENYL)SULFONYL)-3-(TRANS-4-METHYLCYCLOHEXYL)UREA | C16H25N3O3S

1-((4-(2-AMINOETHYL)PHENYL)SULFONYL)-3-(TRANS-4-METHYLCYCLOHEXYL)UREA

  • Molecular FormulaC16H25N3O3S
  • Average mass339.453 Da
  • Monoisotopic mass339.161652 Da
  • ChemSpider ID32701658

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-((4-(2-AMINOETHYL)PHENYL)SULFONYL)-3-(TRANS-4-METHYLCYCLOHEXYL)UREA
4-(2-Aminoethyl)-N-[(trans-4-methylcyclohexyl)carbamoyl]benzenesulfonamide [ACD/IUPAC Name]
4-(2-Aminoéthyl)-N-[(trans-4-méthylcyclohexyl)carbamoyl]benzènesulfonamide [French] [ACD/IUPAC Name]
4-(2-Aminoethyl)-N-[(trans-4-methylcyclohexyl)carbamoyl]benzolsulfonamid [German] [ACD/IUPAC Name]
41176-98-1 [RN]
Benzenesulfonamide, 4-(2-aminoethyl)-N-[[(trans-4-methylcyclohexyl)amino]carbonyl]- [ACD/Index Name]
Des(5-methylpyrazinecarbonyl) trans-4-Methyl Glipizide

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

Y04O3X1M2F [DBID]
UNII:Y04O3X1M2F [DBID]
UNII-Y04O3X1M2F [DBID]

    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: 1.584
    Molar Refractivity: 90.8±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.08
    ACD/LogD (pH 5.5): -0.48
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.45
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 110 Å2
    Polarizability: 36.0±0.5 10-24cm3
    Surface Tension: 55.3±5.0 dyne/cm
    Molar Volume: 271.4±5.0 cm3

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