68971 <common-name>5-Acetamido-2-methylbenzenesulphonyl chloride</common-name> <description>5-Acetamido-2-methylbenzenesulphonyl chloride belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C9H10Cl1N1O3S1 and an average molecular weight of 247.69 g/mol.</description> <cas>13632-07-0</cas> <pubchem-id>83630</pubchem-id> <chemical-formula>C9H10Cl1N1O3S1</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-03T14:20:09Z</created-at> <updated-at type="dateTime">2026-04-03T14:20:09Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC(=O)NC1=CC(=C(C)C=C1)S(Cl)(=O)=O</moldb-smiles> <moldb-formula>C9H10Cl1N1O3S1</moldb-formula> <moldb-inchi>InChI=1S/C9H10ClNO3S/c1-6-3-4-8(11-7(2)12)5-9(6)15(10,13)14/h3-5H,1-2H3,(H,11,12)</moldb-inchi> <moldb-inchikey>BCGUUSFEJVCVLK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">247.69</moldb-average-mass> <moldb-mono-mass type="decimal">247.006992</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>75454</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM064864</chemdb-id> <dsstox-id>DTXSID80159762</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00024420</susdat-id> <iupac>5-acetamido-2-methylbenzenesulfonyl chloride</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Anilides</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0121870</sync-id> <structure-inchikey>BCGUUSFEJVCVLK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000008100000000000004000000000000000000000000020000000000800000000000000000000000000000000820000000000000000000000000000020000000000000000000000000000000000000010000000010400000100000000000000000000000000000000000400000000040100000000000000000000080000000000000000000000000000000000000000000000000000000080100000000000000000000080020000000000000000000000000000000000000000000000010100000002001000200000000000000008400000000000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADwAAAIABBgBgAAAAAQMGACgAAAAD BAgAKAAAAAMCBwBoAAAAAwIBBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZA KAAAAAMEBgBgAAAAAQMGQGgAAAADAwEGQGgAAAADAwEQACAAAAAGEQAgAAAA AQgAKAAAAAMCCAAoAAAAAwILAAEAAQIoAgEDIAMEIAQFaAwFBmgMBgdoDAcI AAcJaAwJCmgMBgsACwwACw0IAgsOCAIKBGgMQgEAAAAGBAoJBwYFFwQAAAAA AAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:18:50Z</structure-indexed-at> </compound>