<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">295936</id>
  <title nil="true"/>
  <common-name>N'-(4-methylphenyl)sulfonyl-1,1-dioxo-4h-1lambda6,2,4-benzothiadiazine-3-carbohydrazide</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3044928</pubchem-id>
  <chemical-formula>C15H14N4O5S2</chemical-formula>
  <weight>394.4</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">2026-08-28T11:59:20Z</created-at>
  <updated-at type="dateTime">2026-08-28T11:59:20Z</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>CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=NS(=O)(=O)C3=CC=CC=C3N2</moldb-smiles>
  <moldb-formula>C15H14N4O5S2</moldb-formula>
  <moldb-inchi>InChI=1S/C15H14N4O5S2/c1-10-6-8-11(9-7-10)25(21,22)19-17-15(20)14-16-12-4-2-3-5-13(12)26(23,24)18-14/h2-9,19H,1H3,(H,16,18)(H,17,20)</moldb-inchi>
  <moldb-inchikey>CTABACBVAXITKC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">394.0405619</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.3</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM291829</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>N'-(4-methylphenyl)sulfonyl-1,1-dioxo-4h-1lambda6,2,4-benzothiadiazine-3-carbohydrazide</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>Organoheterocyclic compounds</superklass>
  <klass>Thiadiazines</klass>
  <subklass>Benzothiadiazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0247356</sync-id>
  <structure-inchikey>CTABACBVAXITKC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000000000000002000000000000000000000000010000001400000000000000000001000000020000002000000000000000001000140002000200000000000000000000000000000000000020000000000000001000000040000000080000010020000000000000001000000000000000000004000000000000000000000048000000800000200000000080000100000100000000001000000000000000000000000000000000080000000000080000000002080000000000000000000000000000200000000000000100000000020000002000000200000000000000000100000000000040000000100480000008000000020000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@h�������@(������@h�������@h�������� ������(�������(�������`�������h��������(�������(�������(�������(������� ������(�������(������@(������@h�������@h�������@h�������@h�������@(�������h������������h���h���h���h���h���������	���
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  <structure-indexed-at type="dateTime">2026-09-19T05:07:19Z</structure-indexed-at>
</compound>
