<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">313608</id>
  <title nil="true"/>
  <common-name>4-[(e)-4-piperidin-1-ylbut-2-enyl]-n-(1,3-thiazol-2-yl)benzenesulfonamide</common-name>
  <description>4-[(e)-4-piperidin-1-ylbut-2-enyl]-n-(1,3-thiazol-2-yl)benzenesulfonamide is a chemical compound with the formula C18H23N3O2S2. It has an average molecular weight of 377.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>6447314</pubchem-id>
  <chemical-formula>C18H23N3O2S2</chemical-formula>
  <weight>377.5</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">2026-08-29T10:27:32Z</created-at>
  <updated-at type="dateTime">2026-08-29T10:27:32Z</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>C1CCN(CC1)CC=CCC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3</moldb-smiles>
  <moldb-formula>C18H23N3O2S2</moldb-formula>
  <moldb-inchi>InChI=1S/C18H23N3O2S2/c22-25(23,20-18-19-11-15-24-18)17-9-7-16(8-10-17)6-2-5-14-21-12-3-1-4-13-21/h2,5,7-11,15H,1,3-4,6,12-14H2,(H,19,20)/b5-2+</moldb-inchi>
  <moldb-inchikey>OVZIIONOUWPLKB-GORDUTHDSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">377.1231693</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.4</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>CHEM309501</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>4-[(e)-4-piperidin-1-ylbut-2-enyl]-n-(1,3-thiazol-2-yl)benzenesulfonamide</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" nil="true"/>
  <sync-id>CED0264511</sync-id>
  <structure-inchikey>OVZIIONOUWPLKB-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>28020000000000000000800000000000000000000000000000000000000000000000000000001201000000020000002040000100000000000000000100000600000000000020000000000000000100000020000010000200001000000000000000000000000000000000000000081000000000020100000000000000000000000800000000010004000000000000000080000000000000000000000000000200000000000000080000080000080000000002020000080000088000011000000000000001000000000000000000000000000000000000000000000220000000010000000000000000002040000000000000400000000000000002000000000000</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���h���h���h�����
h���h�B����������������
����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:20:16Z</structure-indexed-at>
</compound>
