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<compound>
  <id type="integer">338878</id>
  <title nil="true"/>
  <common-name>N-[1-[bis(4-chlorophenyl)methyl]-1-methylazetidin-1-ium-3-yl]-n-(3,5-difluorophenyl)methanesulfonamide</common-name>
  <description>N-[1-[bis(4-chlorophenyl)methyl]-1-methylazetidin-1-ium-3-yl]-n-(3,5-difluorophenyl)methanesulfonamide is a chemical compound with the formula C24H23Cl2F2N2O2S+. With an average molecular weight of 512.40 g/mol, N-[1-[bis(4-chlorophenyl)methyl]-1-methylazetidin-1-ium-3-yl]-n-(3,5-difluorophenyl)methanesulfonamide is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>44180784</pubchem-id>
  <chemical-formula>C24H23Cl2F2N2O2S+</chemical-formula>
  <weight>512.4</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">2026-08-30T22:02:36Z</created-at>
  <updated-at type="dateTime">2026-08-30T22:02:36Z</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>C[N+]1(CC(C1)N(C2=CC(=CC(=C2)F)F)S(=O)(=O)C)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl</moldb-smiles>
  <moldb-formula>C24H23Cl2F2N2O2S+</moldb-formula>
  <moldb-inchi>InChI=1S/C24H23Cl2F2N2O2S/c1-30(24(16-3-7-18(25)8-4-16)17-5-9-19(26)10-6-17)14-23(15-30)29(33(2,31)32)22-12-20(27)11-21(28)13-22/h3-13,23-24H,14-15H2,1-2H3/q+1</moldb-inchi>
  <moldb-inchikey>DQQUOWSXOJKTEJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">511.0825359</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.6</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>CHEM334771</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>N-[1-[bis(4-chlorophenyl)methyl]-1-methylazetidin-1-ium-3-yl]-n-(3,5-difluorophenyl)methanesulfonamide</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>Diphenylmethanes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0289304</sync-id>
  <structure-inchikey>DQQUOWSXOJKTEJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40001000000000000000400000000000000000000000000400000080000000800000000000000000000000020000000000000000000000000000000000000000000000000100400000000000000000000024080004000810000000000000000100000000004480000000000000104000000000020000000000000000000000100000000040020000008000000000000000000000000000800000000000000000000000000000000000000400080000000000000000000000080080000000000008200000000000010000000000000400020010000000000000004200000000000000000000000004000040000000000000800000000000000000000000400000</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T05:39:31Z</structure-indexed-at>
</compound>
