79742 <common-name>Benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-</common-name> <description>Benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the chemical formula C10H8Cl2N2O4S1 and an average molecular weight of 323.14 g/mol.</description> <cas>84-57-1</cas> <pubchem-id>66536</pubchem-id> <chemical-formula>C10H8Cl2N2O4S1</chemical-formula> <weight>323.15</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">2026-04-04T14:51:34Z</created-at> <updated-at type="dateTime">2026-08-18T04:59:38Z</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>CC1=NN(C(=O)C1)C1=C(Cl)C=C(C(Cl)=C1)S(O)(=O)=O</moldb-smiles> <moldb-formula>C10H8Cl2N2O4S1</moldb-formula> <moldb-inchi>InChI=1S/C10H8Cl2N2O4S/c1-5-2-10(15)14(13-5)8-3-7(12)9(4-6(8)11)19(16,17)18/h3-4H,2H2,1H3,(H,16,17,18)</moldb-inchi> <moldb-inchikey>KCEIVWKDBLAQKL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">323.14</moldb-average-mass> <moldb-mono-mass type="decimal">321.958183</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>59907</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>CHEM075635</chemdb-id> <dsstox-id>DTXSID8058906</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00038559</susdat-id> <iupac>2,5-dichloro-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)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>Benzenesulfonic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0130861</sync-id> <structure-inchikey>KCEIVWKDBLAQKL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000000000000000000000020000000020002002000800000000000000000000000000004000000000000400020008000000030000020080000000000000000000000000000000002010000000800000000100000000000020100100000000000000000000001000040000000000000000000000000000000000000000000000000000000000100000000000000000000080000800000000000000000080000000000000000000008100000800000000000000000000010000000002000000000000000000000000400000000000040000000000000000000400000000000000020000008</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAATAAAAFAAAAIABBgBgAAAAAQMGACgAAAAD BAcAKAAAAAMDBwAoAAAAAwMGACgAAAADBAgAKAAAAAMCBgBgAAAAAgIGQCgA AAADBAZAKAAAAAMEEQAgAAAAAQZAaAAAAAMDAQZAKAAAAAMEBkAoAAAAAwQR ACAAAAABBkBoAAAAAwMBEAAgAAAABggAYAAAAAEBCAAoAAAAAwIIACgAAAAD AgsAAQABAigCAgMgAwQgBAUoAgQGAAMHIAcIaAwICQAICmgMCgtoDAsMaAwM DQAMDmgMCw8ADxAADxEIAg8SCAIGAQAOB2gMQgIAAAAFAQIDBAYGCAoLDA4H FwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:26:50Z</structure-indexed-at> </compound>