78631 <common-name>Benzenesulfonic acid, 5-(acetylamino)-3-amino-2-methoxy-</common-name> <description>Benzenesulfonic acid, 5-(acetylamino)-3-amino-2-methoxy- belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C9H12N2O5S1 and an average molecular weight of 260.26 g/mol.</description> <cas>70900-30-0</cas> <pubchem-id>116930</pubchem-id> <chemical-formula>C9H12N2O5S1</chemical-formula> <weight>260.27</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">2026-04-04T12:46:42Z</created-at> <updated-at type="dateTime">2026-08-25T10:50:19Z</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>COC1=C(N)C=C(NC(C)=O)C=C1S(O)(=O)=O</moldb-smiles> <moldb-formula>C9H12N2O5S1</moldb-formula> <moldb-inchi>InChI=1S/C9H12N2O5S/c1-5(12)11-6-3-7(10)9(16-2)8(4-6)17(13,14)15/h3-4H,10H2,1-2H3,(H,11,12)(H,13,14,15)</moldb-inchi> <moldb-inchikey>IGLOCMMNXMYDKL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">260.26</moldb-average-mass> <moldb-mono-mass type="decimal">260.046692</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-0.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>104506</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>CHEM074524</chemdb-id> <dsstox-id>DTXSID0072190</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00037126</susdat-id> <iupac>5-acetamido-3-amino-2-methoxybenzenesulfonic 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>Anilides</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0089717</sync-id> <structure-inchikey>IGLOCMMNXMYDKL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>80000000000000000000000000100000000000004000000000000000000000400020000000000800000000000000000000000000000000820000000000000008000000020000020000000000100000008000000000000000000010000000840400000100000000200000000000000000000000000400000000040000000000000000000000080001000000000000000000000000000000000000000000001000000080000000000000000004000080001000000000080000000000000010000000000000000000000000000000000000000000000800000008000000000000040000000000400000000000000000000000000000000</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�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:26:02Z</structure-indexed-at> </compound>