78848 <common-name>Benzenesulfonic acid, 5-[[4-(aminosulfonyl)-2-nitrophenyl]amino]-2-(phenylamino)-</common-name> <description>Benzenesulfonic acid, 5-[[4-(aminosulfonyl)-2-nitrophenyl]amino]-2-(phenylamino)- belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid has the chemical formula C18H16N4O7S2 and an average molecular weight of 464.47 g/mol.</description> <cas>72829-30-2</cas> <pubchem-id>5491135</pubchem-id> <chemical-formula>C18H16N4O7S2</chemical-formula> <weight>464.5</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">2026-04-04T13:07:56Z</created-at> <updated-at type="dateTime">2026-08-29T07:08:18Z</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>NS(=O)(=O)C1=CC(=C(NC2=CC(=C(NC3=CC=CC=C3)C=C2)S(O)(=O)=O)C=C1)[N+]([O-])=O</moldb-smiles> <moldb-formula>C18H16N4O7S2</moldb-formula> <moldb-inchi>InChI=1S/C18H16N4O7S2/c19-30(25,26)14-7-9-15(17(11-14)22(23)24)21-13-6-8-16(18(10-13)31(27,28)29)20-12-4-2-1-3-5-12/h1-11,20-21H,(H2,19,25,26)(H,27,28,29)</moldb-inchi> <moldb-inchikey>DTPZBFSWSXHTAX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">464.47</moldb-average-mass> <moldb-mono-mass type="decimal">464.04604</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4590455</chemspider-id> <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>CHEM074741</chemdb-id> <dsstox-id>DTXSID3072616</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00037411</susdat-id> <iupac>2-anilino-5-(2-nitro-4-sulfamoylanilino)benzenesulfonic acid</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>CED0071383</sync-id> <structure-inchikey>DTPZBFSWSXHTAX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000000000000000000000001004000022000000004800000000000000000000000100000000800021000000000008000000020000020000000000001001800000000400004000000010010004a10000000100000000000000000000000000000000000000000000000000000800000000000000080001000001500000080000000000000000000000000000000040001080000000000000000000000080000000000080000000000080000000100000000000000000000000000000000000200000000000000000000000000800040000000000000000000001000000000000000000000</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������� *������� *���ÿ����(����������������������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">2026-09-19T04:26:13Z</structure-indexed-at> </compound>