<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-28 17:03:20 UTC</creation_date>
  <update_date>2026-08-28 17:03:20 UTC</update_date>
  <accession/>
  <common_name>5-chloro-2-hydroxy-3-[[5-methyl-3-oxo-2-(3-sulfophenyl)-1h-pyrazol-4-yl]diazenyl]benzenesulfonic acid</common_name>
  <class>SmallMolecule</class>
  <description>5-chloro-2-hydroxy-3-[[5-methyl-3-oxo-2-(3-sulfophenyl)-1h-pyrazol-4-yl]diazenyl]benzenesulfonic acid belongs to the pyrazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has the chemical formula C16H13ClN4O8S2 and an average molecular weight of 488.90 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C16H13ClN4O8S2</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>487.9863334</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>CC1=C(C(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)O)N=NC3=C(C(=CC(=C3)Cl)S(=O)(=O)O)O</smiles>
  <inchi>InChI=1S/C16H13ClN4O8S2/c1-8-14(19-18-12-5-9(17)6-13(15(12)22)31(27,28)29)16(23)21(20-8)10-3-2-4-11(7-10)30(24,25)26/h2-7,20,22H,1H3,(H,24,25,26)(H,27,28,29)</inchi>
  <inchikey>HKYOPFRPULIUOZ-UHFFFAOYSA-N</inchikey>
  <taxonomy>
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    <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>2.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>487.9863334</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1=C(C(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)O)N=NC3=C(C(=CC(=C3)Cl)S(=O)(=O)O)O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C16H13ClN4O8S2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C16H13ClN4O8S2/c1-8-14(19-18-12-5-9(17)6-13(15(12)22)31(27,28)29)16(23)21(20-8)10-3-2-4-11(7-10)30(24,25)26/h2-7,20,22H,1H3,(H,24,25,26)(H,27,28,29)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>HKYOPFRPULIUOZ-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <use_source/>
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  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72261f00a0&gt;</health_effects>
  <symptoms/>
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  <pubchem_compound_id>22914</pubchem_compound_id>
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  <wikipidia/>
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