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    Methoxybenzenesulfonamide Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 112101-75-4, 5[(r)-(2-aminopropyl)]-2-methoxybenzenesulfonamide hydrochloride, (r)-(+)-5-(2-aminopropyl)-2-methoxybenzene sulfonamide hydrochloride, 5-[(2r)-2-aminopropyl]-2-methoxybenzenesulfonamide;hydrochloride, (r)-(-)-5-(2-aminopropyl)-2-methoxybenzenesulphonamide hcl, 5-[(2r)-2-aminopropyl]-2-methoxy-benzenesulfonamide hydrochloride
    Molecular Formula
    C10H17ClN2O3S
    Molecular Weight
    280.77  g/mol
    InChI Key
    KYRRNJIOCLALJQ-OGFXRTJISA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-[(2R)-2-aminopropyl]-2-methoxybenzenesulfonamide;hydrochloride
    2.1.2 InChI
    InChI=1S/C10H16N2O3S.ClH/c1-7(11)5-8-3-4-9(15-2)10(6-8)16(12,13)14;/h3-4,6-7H,5,11H2,1-2H3,(H2,12,13,14);1H/t7-;/m1./s1
    2.1.3 InChI Key
    KYRRNJIOCLALJQ-OGFXRTJISA-N
    2.1.4 Canonical SMILES
    CC(CC1=CC(=C(C=C1)OC)S(=O)(=O)N)N.Cl
    2.1.5 Isomeric SMILES
    C[C@H](CC1=CC(=C(C=C1)OC)S(=O)(=O)N)N.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 112101-75-4

    2. 5[(r)-(2-aminopropyl)]-2-methoxybenzenesulfonamide Hydrochloride

    3. (r)-(+)-5-(2-aminopropyl)-2-methoxybenzene Sulfonamide Hydrochloride

    4. 5-[(2r)-2-aminopropyl]-2-methoxybenzenesulfonamide;hydrochloride

    5. (r)-(-)-5-(2-aminopropyl)-2-methoxybenzenesulphonamide Hcl

    6. 5-[(2r)-2-aminopropyl]-2-methoxy-benzenesulfonamide Hydrochloride

    7. Schembl3939257

    8. (r)-(+)-5-(2-aminopropyl)-2-methoxybenzene Sulfonamide

    9. Dtxsid40524856

    10. (r)-(+)-5-(2-aminopropyl)-2-methoxybenzenesulfonamidehydrochloride

    11. 5-[(r)-(2-aminopropyl)]-2-methoxybenzenesulfonamide Hydrochloride

    12. Akos015901415

    13. Ac-5618

    14. Cs-0440941

    15. A1-00091

    16. J-002705

    17. J-002706

    18. (r)-5-(2-aminopropyl)-2-methoxybenzenesulfonamidehydrochloride

    19. Benzenesulfonamide,5-[(2r)-2-aminopropyl]-2-methoxy-, Hydrochloride (1:1)

    20. Benzenesulfonamide,5-[(2r)-2-aminopropyl]-2-methoxy-,hydrochloride(1:1)

    21. 5-[(2r)-2-aminopropyl]-2-methoxybenzene-1-sulfonamide--hydrogen Chloride (1/1)

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 280.77 g/mol
    Molecular Formula C10H17ClN2O3S
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass280.0648413 g/mol
    Monoisotopic Mass280.0648413 g/mol
    Topological Polar Surface Area104 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity313
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2