68746 <common-name>2-Amino-N-phenyltoluene-4-sulphonamide</common-name> <description nil="true"/> <cas>13065-83-3</cas> <pubchem-id>83100</pubchem-id> <chemical-formula>C13H14N2O2S1</chemical-formula> <weight nil="true"/> <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">2026-04-03T13:14:38Z</created-at> <updated-at type="dateTime">2026-04-03T13:14:38Z</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>CC1=C(N)C=C(C=C1)S(=O)(=O)NC1=CC=CC=C1</moldb-smiles> <moldb-formula>C13H14N2O2S1</moldb-formula> <moldb-inchi>InChI=1S/C13H14N2O2S/c1-10-7-8-12(9-13(10)14)18(16,17)15-11-5-3-2-4-6-11/h2-9,15H,14H2,1H3</moldb-inchi> <moldb-inchikey>SHEKQTHEFWKAIL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">262.33</moldb-average-mass> <moldb-mono-mass type="decimal">262.077598</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>74970</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>CHEM064639</chemdb-id> <dsstox-id>DTXSID50156667</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00024119</susdat-id> <iupac>3-amino-4-methyl-N-phenylbenzenesulfonamide</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>Benzenesulfonamides</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0136493</sync-id> <structure-inchikey>SHEKQTHEFWKAIL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000008000000000000000000000000000000000000102000000000000000000004000000001000000020000000004000000000000000000000000000200000000000000000000000000000000000020000000000001001000000100000000000000000001000000000000100000000200000000000000000000000000000000000040000000800000000000000080001000000100000000000000000200000000000000000000000000080100000000000000004000080000000000000000000000000000000000000000000000000004100000002000000200000000000000000000000000000040000000000000000000000000000000000000000000</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�B������������ ���������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:18:38Z</structure-indexed-at> </compound>