<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-03-26 22:10:08 UTC</creation_date>
  <update_date>2026-08-18 23:04:42 UTC</update_date>
  <accession/>
  <common_name>Benzoic acid, 2-[[(3-amino-4-hydroxyphenyl)sulfonyl]amino]-</common_name>
  <class>SmallMolecule</class>
  <description>Benzoic acid, 2-[[(3-amino-4-hydroxyphenyl)sulfonyl]amino]- is an organic compound with the formula C13H12N2O5S1 and an average molecular weight of 308.31 g/mol. Benzoic acid, 2-[[(3-amino-4-hydroxyphenyl)sulfonyl]amino]- belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. This compound is identified as being found in or released from one recorded source: drinking water &amp; water supply (drinking water). The recorded route of exposure for this substance is oral.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>2,3,4-trihydroxy-1-cyclohepta-2,4,6-trienone</synonym>
    <synonym>2-(((3-amino-4-hydroxyphenyl)sulphonyl)amino)benzoic acid</synonym>
    <synonym>2-(3-Amino-4-hydroxyphenylsulfonamido)benzoic acid</synonym>
    <synonym>2-(3-Amino-4-hydroxyphenylsulfonamido)benzoicacid</synonym>
    <synonym>2-Aminophenol-4-(2'-carboxy) sulfonanilide</synonym>
    <synonym>2-Aminophenol-4-(2'-Carboxy)sulfonanilide (en)</synonym>
    <synonym>2-Aminophenol-4-(2-carboxy) sulfonanilide</synonym>
    <synonym>2-Aminophenol-4-(2-carboxy)sulfonanilide</synonym>
    <synonym>2-Aminophenol-4-(2?-carboxy)sulfonanilide</synonym>
    <synonym>2-Aminophenol-4-(2ÃƒÂ¢Ã‚â‚¬Ã‚â„¢-carboxy)sulfonanilide</synonym>
    <synonym>2-Aminophenol-4-(2ÃƒÆ’Ã‚Â¢ÃƒÂ¢Ã‚â€šÃ‚Â¬ÃƒÂ¢Ã‚â€žÃ‚Â¢-carboxy)sulfonanilide</synonym>
    <synonym>2-[(3-amino-4-hydroxybenzene)sulfonamido]benzoic acid</synonym>
    <synonym>2-[(3-amino-4-hydroxyphenyl)sulfonylamino]benzoic acid</synonym>
    <synonym>2-[[(3-amino-4-hydroxyphenyl)sulphonyl]amino]benzoic acid</synonym>
    <synonym>2-[[(3-amino-4-hydroxyphenyl)sulphonyl]amino]benzoicacid</synonym>
    <synonym>2-{[(3-Amino-4-hydroxyphenyl)sulfonyl]amino}benzoic acid</synonym>
    <synonym>202-063-1</synonym>
    <synonym>Anthranilic acid, N-(3-amino-4-hydroxyphenylsulfonyl)-</synonym>
    <synonym>Benzoic acid, 2-(((3-amino-4-hydroxyphenyl)sulfonyl)amino)-</synonym>
    <synonym>Benzoic acid, 2-[[(3-amino-4-hydroxyphenyl)sulfonyl]amino]-</synonym>
    <synonym>https://mcule.com/MCULE-1057759755</synonym>
    <synonym>N-(3-Amino-4-hydroxyphenylsulfonyl)-anthranilic acid</synonym>
    <synonym>N-(4-HYDROXYMETANILYL)ANTHRANILIC ACID</synonym>
    <synonym>OR-3026</synonym>
    <synonym>UNII:37SPR6R44N</synonym>
    <synonym>[91-35-0]</synonym>
  </synonyms>
  <chemical_formula>C13H12N2O5S1</chemical_formula>
  <average_molecular_weight>308.31</average_molecular_weight>
  <monisotopic_moleculate_weight>308.046692</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>91-35-0;112195-29-6</cas_registry_number>
  <smiles>NC1=CC(=CC=C1O)S(=O)(=O)NC1=C(C=CC=C1)C(O)=O</smiles>
  <inchi>InChI=1S/C13H12N2O5S/c14-10-7-8(5-6-12(10)16)21(19,20)15-11-4-2-1-3-9(11)13(17)18/h1-7,15-16H,14H2,(H,17,18)</inchi>
  <inchikey>ISDVREGLMJJFJG-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Benzenoids</super_class>
    <class>Benzene and substituted derivatives</class>
    <sub_class>Benzenesulfonamides</sub_class>
    <direct_parent>Aminobenzenesulfonamides</direct_parent>
    <alternate_parents>
      <alternative_parent>1-hydroxy-2-unsubstituted benzenoids</alternative_parent>
      <alternative_parent>Amino acids</alternative_parent>
      <alternative_parent>Aminosulfonyl compounds</alternative_parent>
      <alternative_parent>Aniline and substituted anilines</alternative_parent>
      <alternative_parent>Benzenesulfonyl compounds</alternative_parent>
      <alternative_parent>Benzoic acids</alternative_parent>
      <alternative_parent>Benzoyl derivatives</alternative_parent>
      <alternative_parent>Carboxylic acids</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Monocarboxylic acids and derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organooxygen compounds</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Organosulfonamides</alternative_parent>
      <alternative_parent>Primary amines</alternative_parent>
      <alternative_parent>Sulfanilides</alternative_parent>
      <alternative_parent>Vinylogous amides</alternative_parent>
      <alternative_parent>o-Aminophenols</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>1-hydroxy-2-unsubstituted benzenoid</substituent>
      <substituent>Amine</substituent>
      <substituent>Amino acid</substituent>
      <substituent>Amino acid or derivatives</substituent>
      <substituent>Aminobenzenesulfonamide</substituent>
      <substituent>Aminophenol</substituent>
      <substituent>Aminosulfonyl compound</substituent>
      <substituent>Aniline or substituted anilines</substituent>
      <substituent>Aromatic homomonocyclic compound</substituent>
      <substituent>Benzenesulfonyl group</substituent>
      <substituent>Benzoic acid</substituent>
      <substituent>Benzoic acid or derivatives</substituent>
      <substituent>Benzoyl</substituent>
      <substituent>Carboxylic acid</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Monocarboxylic acid or derivatives</substituent>
      <substituent>O-aminophenol</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic sulfonic acid or derivatives</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Organosulfonic acid amide</substituent>
      <substituent>Organosulfonic acid or derivatives</substituent>
      <substituent>Organosulfur compound</substituent>
      <substituent>Phenol</substituent>
      <substituent>Primary amine</substituent>
      <substituent>Sulfanilide</substituent>
      <substituent>Sulfonyl</substituent>
      <substituent>Vinylogous amide</substituent>
    </substituents>
    <molecular_framework>Aromatic homomonocyclic compounds</molecular_framework>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>1.5</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>308.31</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>308.046692</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>NC1=CC(=CC=C1O)S(=O)(=O)NC1=C(C=CC=C1)C(O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C13H12N2O5S1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C13H12N2O5S/c14-10-7-8(5-6-12(10)16)21(19,20)15-11-4-2-1-3-9(11)13(17)18/h1-7,15-16H,14H2,(H,17,18)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>ISDVREGLMJJFJG-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb3f9c810&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>4294</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>4143</chemspider_id>
  <kegg_id/>
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  <general_references/>
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</compound>
