97102 <common-name>N-benzyl-1,1,1-trifluoromethanesulphonamide</common-name> <description>N-benzyl-1,1,1-trifluoromethanesulphonamide belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the formula C8H8F3NO2S and an average molecular weight of 239.21 g/mol.</description> <cas>36457-58-6</cas> <pubchem-id>118985</pubchem-id> <chemical-formula>C8H8F3NO2S</chemical-formula> <weight>239.22</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">2026-04-05T05:05:04Z</created-at> <updated-at type="dateTime">2026-08-25T03:12:11Z</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>FC(F)(F)S(=O)(=O)NCC1=CC=CC=C1</moldb-smiles> <moldb-formula>C8H8F3NO2S</moldb-formula> <moldb-inchi>InChI=1/C8H8F3NO2S/c9-8(10,11)15(13,14)12-6-7-4-2-1-3-5-7/h1-5,12H,6H2</moldb-inchi> <moldb-inchikey>IJHVVEQTOXFGCL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">239.21</moldb-average-mass> <moldb-mono-mass type="decimal">239.0227842</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</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>CHEM092995</chemdb-id> <dsstox-id>DTXSID70189972</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00059351</susdat-id> <iupac>N-benzyl-1,1,1-trifluoromethanesulfonamide</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 nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0108371</sync-id> <structure-inchikey>IJHVVEQTOXFGCL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000800000002000000000000010000000000000000000010000000000000000000000020000000004000000000000000000000000000000000000000000000000000000000000020020000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000000000200000800000000000020080000000000100000000000000000000000000000000000000000000080000000040000000040000080000000000000000000000000000000000002000000000000000000000000000000220000000000000000001000000000040000000000000800000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADwAAAIABCQAgAAAAAQYAIAAAAAQJ ACAAAAABCQAgAAAAARAAIAAAAAYIACgAAAADAggAKAAAAAMCBwBgAAAAAgEG AGAAAAACAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBo AAAAAwMBBkBoAAAAAwMBCwABAAECAAEDAAEEAAQFCAIEBggCBAcABwgACAkA CQpoDAoLaAwLDGgMDA1oDA0OaAwOCWgMQgEAAAAGCQ4NDAsKFwQAAAAAAAAA Fg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:37:25Z</structure-indexed-at> </compound>