<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">73370</id>
  <title nil="true"/>
  <common-name>Benzenesulfonyl chloride, 3-(acetylamino)-4-methoxy-</common-name>
  <description>Benzenesulfonyl chloride, 3-(acetylamino)-4-methoxy- belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C9H10Cl1N1O4S1 and an average molecular weight of 263.69 g/mol.</description>
  <cas>3746-67-6</cas>
  <pubchem-id>77351</pubchem-id>
  <chemical-formula>C9H10Cl1N1O4S1</chemical-formula>
  <weight>263.7</weight>
  <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">2026-04-03T23:31:53Z</created-at>
  <updated-at type="dateTime">2026-08-25T07:07:28Z</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>COC1=C(NC(C)=O)C=C(C=C1)S(Cl)(=O)=O</moldb-smiles>
  <moldb-formula>C9H10Cl1N1O4S1</moldb-formula>
  <moldb-inchi>InChI=1S/C9H10ClNO4S/c1-6(12)11-8-5-7(16(10,13)14)3-4-9(8)15-2/h3-5H,1-2H3,(H,11,12)</moldb-inchi>
  <moldb-inchikey>KRKMAUKQDRAOFI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">263.69</moldb-average-mass>
  <moldb-mono-mass type="decimal">263.001906</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.4</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>69768</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>CHEM069263</chemdb-id>
  <dsstox-id>DTXSID4063163</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00030201</susdat-id>
  <iupac>3-acetamido-4-methoxybenzenesulfonyl 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>CED0144204</sync-id>
  <structure-inchikey>KRKMAUKQDRAOFI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000000004000000020000000000000000004400000000000000001000000020000000000000000000000000000000000000000000000000000000000000000000000000020000000000100001000000000000000000000010000000040400000100000000000000000000000000000000000400000000060000000000000000000000080000000000000000080000004000000000000000000000000000000080000000000000000000000080000000000000080000000004000000000000000000004000010000000000001000200000000000000008000000000000040000000000400000000000020000000000000020000</structure-fingerprint>
  <structure-pattern-fingerprint>510000000923060081001000010820000000040001052200203420408200002c44020050008000000000410800800000042000a0808c30010000443000a04800c4110420020006014090500000e20200005105805000183240000422400209000c3004060048820048008000d4100001201080101109c0047118000002310002004000180c5402080c000200080c0008111c00124c4014020200080000404080c04300001000400000000940053c211002c00000894108401000021008400210800000a404c80012018000040401028000000000020050080d000000080001001000001000000000000000034010200020100010804000024008008050010606</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@(�������h��������(�������`�������(������@h�������@(������@h�������@h�������� ������ ������(�������(����������� ��h��� �� �����(���h��	h�	
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	������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:22:06Z</structure-indexed-at>
</compound>
