78040 <common-name>Benzenesulfonamide, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-N-(2-hydroxyethyl)-</common-name> <description>Benzenesulfonamide, 3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-N-(2-hydroxyethyl)- belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid has the chemical formula C12H15N3O4S1 and an average molecular weight of 297.33 g/mol.</description> <cas>68003-42-9</cas> <pubchem-id>106354</pubchem-id> <chemical-formula>C12H15N3O4S1</chemical-formula> <weight>297.33</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">2026-04-04T11:26:22Z</created-at> <updated-at type="dateTime">2026-08-27T19:54:11Z</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=CC=CC(=C1)S(=O)(=O)NCCO</moldb-smiles> <moldb-formula>C12H15N3O4S1</moldb-formula> <moldb-inchi>InChI=1S/C12H15N3O4S/c1-9-7-12(17)15(14-9)10-3-2-4-11(8-10)20(18,19)13-5-6-16/h2-4,8,13,16H,5-7H2,1H3</moldb-inchi> <moldb-inchikey>NYCFXTHZFLCNSY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">297.33</moldb-average-mass> <moldb-mono-mass type="decimal">297.078327</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>95765</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>CHEM073933</chemdb-id> <dsstox-id>DTXSID2070972</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00036346</susdat-id> <iupac>N-(2-hydroxyethyl)-3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonamide</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>CED0173515</sync-id> <structure-inchikey>NYCFXTHZFLCNSY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000102000002000000000000000000000025000000020000002000000000000000000000004000000200000000000000000120000000000010000020081000000000000010080000000000000002010000000000000000100000000000020100000000000000000000000001004040000000800000000000000080010000000000000000000000000000000000020000000000000000080000000000000000000000080000000000000000000008000000000000002000000000000000000000002000000200000000000000000042000000002040000000000000000000400000000000000020000008</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAUAAAAFQAAAIABBgBgAAAAAQMGACgAAAAD BAcAKAAAAAMDBwAoAAAAAwMGACgAAAADBAgAKAAAAAMCBgBgAAAAAgIGQCgA AAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAA AwMBEAAgAAAABggAKAAAAAMCCAAoAAAAAwIHAGAAAAACAQYAYAAAAAICBgBg AAAAAgIIAGAAAAABAQsAAQABAigCAgMgAwQgBAUoAgQGAAMHIAcIaAwICWgM CQpoDAoLaAwLDGgMCw0ADQ4IAg0PCAINEAAQEQAREgASEwAGAQAMB2gMQgIA AAAFAQIDBAYGCAkKCwwHFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:25:35Z</structure-indexed-at> </compound>