72678 <common-name>Benzenesulfonamide, N-[2-(1,4-dihydro-4-oxo-2-quinazolinyl)phenyl]-4-methyl-</common-name> <description>Benzenesulfonamide, N-[2-(1,4-dihydro-4-oxo-2-quinazolinyl)phenyl]-4-methyl- belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C21H17N3O3S1 and an average molecular weight of 391.45 g/mol.</description> <cas>32787-68-1</cas> <pubchem-id>122962</pubchem-id> <chemical-formula>C21H17N3O3S1</chemical-formula> <weight>391.4</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">2026-04-03T22:33:49Z</created-at> <updated-at type="dateTime">2026-08-30T03:38:51Z</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=CC=C(C=C1)S(=O)(=O)NC1=C(C=CC=C1)C1=NC(=O)C2=CC=CC=C2N1</moldb-smiles> <moldb-formula>C21H17N3O3S1</moldb-formula> <moldb-inchi>InChI=1S/C21H17N3O3S/c1-14-10-12-15(13-11-14)28(26,27)24-19-9-5-2-6-16(19)20-22-18-8-4-3-7-17(18)21(25)23-20/h2-13,24H,1H3,(H,22,23,25)</moldb-inchi> <moldb-inchikey>PJUVRKPTCSHXQT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">391.45</moldb-average-mass> <moldb-mono-mass type="decimal">391.099062</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>109603</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>CHEM068571</chemdb-id> <dsstox-id>DTXSID5067718</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00029347</susdat-id> <iupac>4-methyl-N-[2-(4-oxo-1H-quinazolin-2-yl)phenyl]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>Toluenes</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0180144</sync-id> <structure-inchikey>PJUVRKPTCSHXQT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000000000000000000000000100060000000000080000000000001000000000000000000021000000028000002000000000000000000080000000000200000000000000000000000000000000000020000000000000001000000000000000080000000000000000000000001000000000000000000000000080000000000000000040000000800000200000000080000000000100000080000080000200000010000010000000040000080000200000000000000000080000000000000000000000040000000040000000000000000000008000002000004200000001020000000100000001000040000000000080000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAcAAAAHwAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMB EAAgAAAABggAKAAAAAMCCAAoAAAAAwIHAGgAAAADAgEGQCgAAAADBAZAKAAA AAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAA AwQHQCgAAAADAwZAKAAAAAMECAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQZA aAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEB0A4AAAAAwEDCwAB AAECaAwCA2gMAwRoDAQFaAwFBmgMBAcABwgIAgcJCAIHCgAKCyALDGgMDA1o DA0OaAwOD2gMDxBoDAwRIBESaAwSE2gMExQoAhMVaAwVFmgMFhdoDBcYaAwY GWgMGRpoDBobaAwGAWgMEAtoDBsRaAwaFWgMQgQAAAAGAQYFBAMCBg0ODxAL DAYSExUaGxEGFhcYGRoVFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:21:32Z</structure-indexed-at> </compound>