89798 <common-name>2-[[2-Hydroxy-5-[(methylamino)sulphonyl]phenyl]azo]-3-oxo-N-phenylbutyramide</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>89536</pubchem-id> <chemical-formula>C17H18N4O5S</chemical-formula> <weight>390.4</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">2026-04-04T23:56:38Z</created-at> <updated-at type="dateTime">2026-08-29T01:10:41Z</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>CNS(=O)(=O)C1=CC=C(O)C(=C1)N=NC(C(C)=O)C(=O)NC1=CC=CC=C1</moldb-smiles> <moldb-formula>C17H18N4O5S</moldb-formula> <moldb-inchi>InChI=1/C17H18N4O5S/c1-11(22)16(17(24)19-12-6-4-3-5-7-12)21-20-14-10-13(8-9-15(14)23)27(25,26)18-2/h3-10,16,18,23H,1-2H3,(H,19,24)</moldb-inchi> <moldb-inchikey>JDADFXDXAQJCDH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">390.41</moldb-average-mass> <moldb-mono-mass type="decimal">390.0997907</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.2</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>CHEM085691</chemdb-id> <dsstox-id>DTXSID90885181</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00050760</susdat-id> <iupac>2-[[2-hydroxy-5-(methylsulfamoyl)phenyl]diazenyl]-3-oxo-N-phenylbutanamide</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>CED0165185</sync-id> <structure-inchikey>JDADFXDXAQJCDH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400020000000000000000000000000000240000000000001020000000000000000000000000000010000000a4000000024001000000000000000000000000200000000000000040400000000000000000020000000000001001004000000000000000000010000000000000000100000000000001000000000000000000000400000000040000400800000000000000080000000040100000000000000008000000000002000000000000000080000000000020000000000180000000000000000000000000200002100000100000000800000000200000000000200000000000000008000000000000040800000000400000000000000000000000000000000</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���h���h�B������� ��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:32:52Z</structure-indexed-at> </compound>