<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4056</id>
  <title>T3D4002</title>
  <common-name>Perfluorooctane sulfonamide</common-name>
  <description>Perfluorooctane sulfonamide perfluoroalkyl chemical (PFC). PFCs have been frequently detected in both the environment and in plants fish and animals.  It is a metabolic breakdown product of Perfluorooctane sulfonate (PFOS). PFOS has been used in a wide variety of industrial and consumer products including protective coatings for carpets and apparel, paper coatings, insecticide formulations, and surfactants. Like many PFCs, it is persistent and bioaccumulative. PFCs are thought to be endocrine disruptors. Many are known toxicants and carcinogens.  </description>
  <cas>754-91-6</cas>
  <pubchem-id>69785</pubchem-id>
  <chemical-formula>C8H2F17NO2S</chemical-formula>
  <weight>499.15</weight>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity></mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source></use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-08-29T04:49:00Z</created-at>
  <updated-at type="dateTime">2026-04-17T19:02:35Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</moldb-smiles>
  <moldb-formula>C8H2F17NO2S</moldb-formula>
  <moldb-inchi>InChI=1S/C8H2F17NO2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28)</moldb-inchi>
  <moldb-inchikey>RRRXPPIDPYTNJG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">499.145</moldb-average-mass>
  <moldb-mono-mass type="decimal">498.953478488</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id>CHEMBL1087375</chembl-id>
  <chemspider-id>62984</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></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM002962</chemdb-id>
  <dsstox-id>DTXSID3038939</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac nil="true"/>
  <moldb-polar-surface-area>60.160000000000004</moldb-polar-surface-area>
  <moldb-refractivity>52.51430000000003</moldb-refractivity>
  <moldb-polarizability>22.948250186370746</moldb-polarizability>
  <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>3.366319958602696</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge>-1</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>4.33</moldb-alogps-logp>
  <moldb-alogps-logs>-3.93</moldb-alogps-logs>
  <moldb-alogps-solubility>5.92e-02 g/l</moldb-alogps-solubility>
</compound>
