ChemSpider 2D Image | N-(2-Cyanoethyl)-N-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-5-sulfonamide | C11H11N3O3S2

N-(2-Cyanoethyl)-N-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-5-sulfonamide

  • Molecular FormulaC11H11N3O3S2
  • Average mass297.353 Da
  • Monoisotopic mass297.024170 Da
  • ChemSpider ID23081431

More details:

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

5-Benzothiazolesulfonamide, N-(2-cyanoethyl)-2,3-dihydro-N-methyl-2-oxo- [ACD/Index Name]
N-(2-Cyanethyl)-N-methyl-2-oxo-2,3-dihydro-1,3-benzothiazol-5-sulfonamid [German] [ACD/IUPAC Name]
N-(2-Cyanoethyl)-N-methyl-2-oxo-2,3-dihydro-1,3-benzothiazole-5-sulfonamide [ACD/IUPAC Name]
N-(2-Cyanoéthyl)-N-méthyl-2-oxo-2,3-dihydro-1,3-benzothiazole-5-sulfonamide [French] [ACD/IUPAC Name]
1171944-04-9 [RN]
2-cyano-N-methyl-S-(2-oxo-2,3-dihydro-1,3-benzothiazol-5-yl)ethane-1-sulfonamido
MFCD12965230
N-(2-cyanoethyl)-N-methyl-2-oxo-3H-1,3-benzothiazole-5-sulfonamide

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.633
    Molar Refractivity: 72.3±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.53
    ACD/LogD (pH 5.5): 0.87
    ACD/BCF (pH 5.5): 2.69
    ACD/KOC (pH 5.5): 70.68
    ACD/LogD (pH 7.4): 0.86
    ACD/BCF (pH 7.4): 2.66
    ACD/KOC (pH 7.4): 69.97
    Polar Surface Area: 124 Å2
    Polarizability: 28.7±0.5 10-24cm3
    Surface Tension: 63.7±3.0 dyne/cm
    Molar Volume: 202.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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