316467 <common-name>[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-phenylmethanone</common-name> <description>[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-phenylmethanone is a chemical compound with the formula C19H18ClF3N2O3S. It has an average molecular weight of 446.90 g/mol.</description> <cas>97629-78-2</cas> <pubchem-id>11971429</pubchem-id> <chemical-formula>C19H18ClF3N2O3S</chemical-formula> <weight>446.9</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">2026-08-29T14:15:30Z</created-at> <updated-at type="dateTime">2026-08-29T14:15:30Z</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>C1CN(CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F)C(=O)C3=CC=CC=C3</moldb-smiles> <moldb-formula>C19H18ClF3N2O3S</moldb-formula> <moldb-inchi>InChI=1S/C19H18ClF3N2O3S/c20-17-8-7-15(13-16(17)19(21,22)23)29(27,28)25-10-4-9-24(11-12-25)18(26)14-5-2-1-3-6-14/h1-3,5-8,13H,4,9-12H2</moldb-inchi> <moldb-inchikey>UMWDSEXQIIZMOH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">446.0678758</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.9</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>CHEM312360</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>[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-phenylmethanone</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>CED0267302</sync-id> <structure-inchikey>UMWDSEXQIIZMOH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000000000000000000000000208000000000001000000020002400004000000100800000000000000004000000000100000400000400000000000000420002000000000001000000000040000000000814000000000000000100000000000020102000000000000000000000840000000000010800000000000000000000000000100000000000000000000000000000000000000000000084000000000000000040000088000008100000000000000000004000000000000000000000010000000000040000200000000000000000000000000000040000000000400800000000000004000004000000000</structure-fingerprint> 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