<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">77802</id>
  <title nil="true"/>
  <common-name>Benzenesulfonic acid, 2,4,5-trichloro-, hydrazide</common-name>
  <description>Benzenesulfonic acid, 2,4,5-trichloro-, hydrazide belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. It has the formula C6H5Cl3N2O2S1 and an average molecular weight of 275.53 g/mol. This compound is classified as a benzenoid superclass.</description>
  <cas>6655-72-7</cas>
  <pubchem-id>81167</pubchem-id>
  <chemical-formula>C6H5Cl3N2O2S1</chemical-formula>
  <weight>275.5</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">2026-04-04T10:39:20Z</created-at>
  <updated-at type="dateTime">2026-08-23T11:03:00Z</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>NNS(=O)(=O)C1=CC(Cl)=C(Cl)C=C1Cl</moldb-smiles>
  <moldb-formula>C6H5Cl3N2O2S1</moldb-formula>
  <moldb-inchi>InChI=1S/C6H5Cl3N2O2S/c7-3-1-5(9)6(2-4(3)8)14(12,13)11-10/h1-2,11H,10H2</moldb-inchi>
  <moldb-inchikey>PDXFRYXZDLBGGJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">275.53</moldb-average-mass>
  <moldb-mono-mass type="decimal">273.913731</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>73233</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>CHEM073695</chemdb-id>
  <dsstox-id>DTXSID40216729</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00036050</susdat-id>
  <iupac>2,4,5-trichlorobenzenesulfonohydrazide</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>Benzenesulfonamides</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0182041</sync-id>
  <structure-inchikey>PDXFRYXZDLBGGJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000000000000000000000000000000000000000000000000000020002000000800000000000000000000004000200000000000000400000000000000000000020000000000000000000000000000000000000000000000000000000100000000040000000000000000000000000000000000000000000000000000000000080001000000000400000000000000000000000000000000000002000080000800000000000000000080000000000000000002000000000800000000000000000000010000400000000000000000000000000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������(�������(������@(������@h�������@(������� �����@(������� �����@h�������@(������� ������������������������h���h�����	h�	
�	�h���h�����h�B��������	������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:25:26Z</structure-indexed-at>
</compound>
