308223 <common-name>Ethyl 5-[[4-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]-3-methylimidazole-4-carboxylate</common-name> <description>Ethyl 5-[[4-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]-3-methylimidazole-4-carboxylate belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C17H22Cl2N4O4S and an average molecular weight of 449.40 g/mol.</description> <cas>61982-05-6</cas> <pubchem-id>3046328</pubchem-id> <chemical-formula>C17H22Cl2N4O4S</chemical-formula> <weight>449.4</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">2026-08-29T02:36:29Z</created-at> <updated-at type="dateTime">2026-08-29T02:36:29Z</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>CCOC(=O)C1=C(N=CN1C)NS(=O)(=O)C2=CC=C(C=C2)N(CCCl)CCCl</moldb-smiles> <moldb-formula>C17H22Cl2N4O4S</moldb-formula> <moldb-inchi>InChI=1S/C17H22Cl2N4O4S/c1-3-27-17(24)15-16(20-12-22(15)2)21-28(25,26)14-6-4-13(5-7-14)23(10-8-18)11-9-19/h4-7,12,21H,3,8-11H2,1-2H3</moldb-inchi> <moldb-inchikey>GAKVYGXNJSSBCP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">448.0738818</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</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>CHEM304116</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>Ethyl 5-[[4-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]-3-methylimidazole-4-carboxylate</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>CED0259250</sync-id> <structure-inchikey>GAKVYGXNJSSBCP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000000008001000000000000500000000000000000000000000000000000020000010000000200000020000000000000000000000000000002000000000080000000000000200000000000200000000001000810000000000100000000000100000000000004000050000000000009000000800000000000000008000000400004000080040000000040800000000000000000000200000022000000000000000000000000000840000040000000010880000a0000000004000000000000000000000000000000000000000011000000002000000200000000000000000000000000000040000000000400000001000000200000000000000000</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�B��������� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:16:10Z</structure-indexed-at> </compound>