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  • [Synonyms]
    NSC126962
    18708-18-4

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight264.30028 [g/mol]
    Molecular FormulaC12H12N2O3S
    XLogP3
    H-Bond Donor1
    H-Bond Acceptor5
    Rotatable Bond Count4
    Exact Mass264.056863
    MonoIsotopic Mass264.056863
    Topological Polar Surface Area71.7
    Heavy Atom Count18
    Formal Charge0
    Complexity381
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count1
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: N-(furan-2-ylmethylideneamino)-4-methylbenzenesulfonamide
    Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=CO2
    InChI: InChI=1/C12H12N2O3S/c1-10-4-6-12(7-5-10)18(15,
    16)14-13-9-11-3-2-8-17-11/h2-9,14H,1H3



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