<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-06-03 10:59:56 UTC</creation_date>
  <update_date>2026-03-26 23:02:52 UTC</update_date>
  <accession/>
  <common_name>Chlorosulfamic acid</common_name>
  <class>SmallMolecule</class>
  <description>Chlorosulfamic acid belongs to the halogen oxides, a subclass of halogen organides within the inorganic compounds. This homogeneous non-metal compound has the formula ClH2NO3S and an average molecular weight of 131.53 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>ClH2NO3S</chemical_formula>
  <average_molecular_weight>131.53</average_molecular_weight>
  <monisotopic_moleculate_weight>130.9443918</monisotopic_moleculate_weight>
  <iupac_name>N-chlorosulfamic acid</iupac_name>
  <traditional_iupac>N-chlorosulfamic acid</traditional_iupac>
  <cas_registry_number>17172-27-9</cas_registry_number>
  <smiles>OS(=O)(=O)NCl</smiles>
  <inchi>InChI=1S/ClH2NO3S/c1-2-6(3,4)5/h2H,(H,3,4,5)</inchi>
  <inchikey>OGQPUOLFKIMRMF-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Homogeneous non-metal compounds</super_class>
    <class>Halogen organides</class>
    <sub_class>Halogen oxides</sub_class>
    <direct_parent>Halogen oxides</direct_parent>
    <alternate_parents>
      <alternative_parent>Inorganic oxides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Halogen oxide</substituent>
      <substituent>Inorganic oxide</substituent>
    </substituents>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-1.42</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.88</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.74e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>-0.65</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>-2.6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>N-chlorosulfamic acid</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>131.53</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>130.9443918</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OS(=O)(=O)NCl</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>ClH2NO3S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/ClH2NO3S/c1-2-6(3,4)5/h2H,(H,3,4,5)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>OGQPUOLFKIMRMF-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>66.4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>20.64</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>9.03</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <use_source/>
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  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf16aa0c0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>19755960</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>11189761</chemspider_id>
  <kegg_id/>
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  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
