Free Chemical Databases



  • [Synonyms]
    BRN 0624109
    LS-129330
    2H-Pyrazolo(4,3-c)quinoline, 4,5-dihydro-5-((4-methylphenyl)sulfonyl)-
    4,5-Dihydro-5-((4-methylphenyl)sulfonyl)-2H-pyrazolo(4,3-c)quinoline
    10440-82-1

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight325.3849 [g/mol]
    Molecular FormulaC17H15N3O2S
    XLogP4
    H-Bond Donor1
    H-Bond Acceptor5
    Rotatable Bond Count2
    Tautomer Count2
    Exact Mass325.088497
    MonoIsotopic Mass325.088497
    Topological Polar Surface Area66.1
    Heavy Atom Count23
    Formal Charge0
    Complexity524
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 5-(4-methylphenyl)sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline
    Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C4=CC=CC=C42)NN=C3
    InChI: InChI=1/C17H15N3O2S/c1-12-6-8-14(9-7-12)23(21,
    22)20-11-13-10-18-19-17(13)15-4-2-3-5-16(15)20/h2-10H,11H2,1H3,(H,18,
    19)/f/h19H



Other Chemicals
2.625