80431 <common-name>Benzenesulfonic acid, 4-[bis(phenylmethyl)amino]-</common-name> <description>Benzenesulfonic acid, 4-[bis(phenylmethyl)amino]- belongs to the phenylmethylamines, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C20H19N1O3S1 and an average molecular weight of 353.44 g/mol.</description> <cas>91-72-5</cas> <pubchem-id>66680</pubchem-id> <chemical-formula>C20H19N1O3S1</chemical-formula> <weight>353.4</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">2026-04-04T15:51:08Z</created-at> <updated-at type="dateTime">2026-08-20T05:16:04Z</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>OS(=O)(=O)C1=CC=C(C=C1)N(CC1=CC=CC=C1)CC1=CC=CC=C1</moldb-smiles> <moldb-formula>C20H19N1O3S1</moldb-formula> <moldb-inchi>InChI=1S/C20H19NO3S/c22-25(23,24)20-13-11-19(12-14-20)21(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,22,23,24)</moldb-inchi> <moldb-inchikey>DHRZHJZKNWAIJE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">353.44</moldb-average-mass> <moldb-mono-mass type="decimal">353.108564</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>60046</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>CHEM076324</chemdb-id> <dsstox-id>DTXSID6059029</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00039406</susdat-id> <iupac>4-(dibenzylamino)benzenesulfonic acid</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>Phenylmethylamines</subklass> <paper-count type="integer">13</paper-count> <sync-id>CED0033026</sync-id> <structure-inchikey>DHRZHJZKNWAIJE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000008000000001000000020001000004000000000000000000000000000010000000000000000000008000400020000020000000000000001000000000000000000000010000000000000000004000000000000000000080000000000000000000000000200400808000000000001000000000000100000000000000000000000000000000000000000000080000000000000000000000088000000000000000000000000000000000000000000000000001000000000000000220000000000000000000000000000040000000000000000000000000000000000000000000</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�B������ ����� ����������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:27:20Z</structure-indexed-at> </compound>