347827 <common-name>[4-(4-methylsulfonylphenyl)piperazin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone</common-name> <description>[4-(4-methylsulfonylphenyl)piperazin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone is a chemical compound with the formula C28H25F3N4O3S. With an average molecular weight of 554.60 g/mol, [4-(4-methylsulfonylphenyl)piperazin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone is a heavy molecule.</description> <cas>98859-11-1</cas> <pubchem-id>3062770</pubchem-id> <chemical-formula>C28H25F3N4O3S</chemical-formula> <weight>554.6</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">2026-08-31T11:39:18Z</created-at> <updated-at type="dateTime">2026-08-31T11:39:18Z</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>CS(=O)(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F</moldb-smiles> <moldb-formula>C28H25F3N4O3S</moldb-formula> <moldb-inchi>InChI=1S/C28H25F3N4O3S/c1-39(37,38)23-9-7-22(8-10-23)34-14-16-35(17-15-34)27(36)19-2-5-21(6-3-19)33-25-12-13-32-26-18-20(28(29,30)31)4-11-24(25)26/h2-13,18H,14-17H2,1H3,(H,32,33)</moldb-inchi> <moldb-inchikey>SJQGUIRFPZLYEX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">554.1599463</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.9</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>CHEM343720</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-methylsulfonylphenyl)piperazin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone</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>Organoheterocyclic compounds</superklass> <klass>Diazinanes</klass> <subklass>Piperazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0298164</sync-id> <structure-inchikey>SJQGUIRFPZLYEX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10020000000000000000101000000000040000000000000000000010000000200000020000001000000000000000000001040000000000000000000000000000000000000200000400108000010000000000000000010000140100000100000001000000000000201020000000100000000000000000000400000000040000000000000800000000800000000800000000800080000000000000000000400000840000400400000000c000008800000890028000000000000000400000000000400000050000000400000000400020000000000000000004000000000204000000000040080000000000000000000c000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������'���+���€���`������� ������(�������(������@(������@h�������@h�������@(������@h�������@h��������(�������`�������`�������(�������`�������`�������(�������(������@(������@h�������@h�������@(������@h�������@h��������h�������@(������@(������@h�������@h�������@(������@h�������@(������@(������@h�������@h�������� ���� � ���� � ���� � ���������������������h���h���h���h�� h�� ������ � ����� � ��(��� ��h���h���h���h���h��� �� ��h���h���h���h���h���h�� h� !h�!"h��#�#$�#%�#&� �h�� ���h�"�h���h�B������ ������� �� ��������������� !"�������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:46:23Z</structure-indexed-at> </compound>