304904 <common-name>(5-chloro-7-iodoquinolin-8-yl) 2-acetamidobenzenesulfonate</common-name> <description>(5-chloro-7-iodoquinolin-8-yl) 2-acetamidobenzenesulfonate belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It has the chemical formula C17H12ClIN2O4S. With an average molecular weight of 502.70 g/mol, (5-chloro-7-iodoquinolin-8-yl) 2-acetamidobenzenesulfonate is a heavy molecule.</description> <cas>63413-56-9</cas> <pubchem-id>3047366</pubchem-id> <chemical-formula>C17H12ClIN2O4S</chemical-formula> <weight>502.7</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">2026-08-28T22:26:35Z</created-at> <updated-at type="dateTime">2026-08-28T22:26:35Z</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>CC(=O)NC1=CC=CC=C1S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)I</moldb-smiles> <moldb-formula>C17H12ClIN2O4S</moldb-formula> <moldb-inchi>InChI=1S/C17H12ClIN2O4S/c1-10(22)21-14-6-2-3-7-15(14)26(23,24)25-17-13(19)9-12(18)11-5-4-8-20-16(11)17/h2-9H,1H3,(H,21,22)</moldb-inchi> <moldb-inchikey>JMTNKICQECJLNE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">501.9251</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.3</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>CHEM300797</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>(5-chloro-7-iodoquinolin-8-yl) 2-acetamidobenzenesulfonate</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>Benzenesulfonic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0256024</sync-id> <structure-inchikey>JMTNKICQECJLNE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000000000000000002000000000000004000000000000000200000400820002002000800000000000008000004000000000000000000000400002000000000000000020040000000100000000000000002000000000010000000000400000100000000000000000100801000000800080440000100840000000800000000000000080000000000100000080000000000000000000000000000000040000080000000000000000080000080000000000000000000000044000000000000000000000000010008000000800000200000000000000008000040000002040000000000400001000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������h�������@(������@h�������@h�������@h�������@h�������@(������� ������(�������(�������(������@(������@(������@h�������@(������@(������@(������@(������@h�������@h�������@h�������� ����5� ����������(��� �� ��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">2026-09-19T05:13:48Z</structure-indexed-at> </compound>