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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 172662-88-3, N-(4-fluorophenyl)sulfamoyl chloride, Schembl1615445, Dtxsid90620958, (4-fluorophenyl)sulfamyl chloride, Akos006333053
    Molecular Formula
    C6H5ClFNO2S
    Molecular Weight
    209.63  g/mol
    InChI Key
    XNKZWQJLJWLNGJ-UHFFFAOYSA-N
    CAS 172662-88-3
    1 2D Structure

    CAS 172662-88-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-(4-fluorophenyl)sulfamoyl chloride
    2.1.2 InChI
    InChI=1S/C6H5ClFNO2S/c7-12(10,11)9-6-3-1-5(8)2-4-6/h1-4,9H
    2.1.3 InChI Key
    XNKZWQJLJWLNGJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1NS(=O)(=O)Cl)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 172662-88-3

    2. N-(4-fluorophenyl)sulfamoyl Chloride

    3. Schembl1615445

    4. Dtxsid90620958

    5. (4-fluorophenyl)sulfamyl Chloride

    6. Akos006333053

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 209.63 g/mol
    Molecular Formula C6H5ClFNO2S
    XLogP32.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass208.9713554 g/mol
    Monoisotopic Mass208.9713554 g/mol
    Topological Polar Surface Area54.6 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity230
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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