9165 <common-name>Mefluidide</common-name> <description nil="true"/> <cas>53780-34-0</cas> <pubchem-id>40896</pubchem-id> <chemical-formula>C11H13F3N2O3S</chemical-formula> <weight>310.29</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">2016-05-19T02:36:53Z</created-at> <updated-at type="dateTime">2026-08-18T09:23:25Z</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>CC(O)=NC1=CC(NS(=O)(=O)C(F)(F)F)=C(C)C=C1C</moldb-smiles> <moldb-formula>C11H13F3N2O3S</moldb-formula> <moldb-inchi>InChI=1S/C11H13F3N2O3S/c1-6-4-7(2)10(5-9(6)15-8(3)17)16-20(18,19)11(12,13)14/h4-5,16H,1-3H3,(H,15,17)</moldb-inchi> <moldb-inchikey>OKIBNKKYNPBDRS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">310.29</moldb-average-mass> <moldb-mono-mass type="decimal">310.05989795</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>37346</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>CHEM008060</chemdb-id> <dsstox-id>DTXSID7034709</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00021199</susdat-id> <iupac>N-[2,4-dimethyl-5-(trifluoromethylsulfonylamino)phenyl]acetamide</iupac> <moldb-polar-surface-area>78.76</moldb-polar-surface-area> <moldb-refractivity>68.89210000000001</moldb-refractivity> <moldb-polarizability>26.94473064989122</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>3.939180149360098</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>1.3506111950064714</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>3.09</moldb-alogps-logp> <moldb-alogps-logs>-3.95</moldb-alogps-logs> <moldb-alogps-solubility>3.47e-02 g/l</moldb-alogps-solubility> </compound>