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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1087375
CHEMBL1087375
Compound Name
ChEMBL Synonyms Sodium perfluorooctane sulfonamide
Max Phase 0
Trade Names
Molecular Formula C8H2F17NO2S

Additional synonyms for CHEMBL1087375 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical 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 ...
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Standard InChI InChI=1S/C8H2F17NO2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11 ...
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Standard InChI Key RRRXPPIDPYTNJG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1087375

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
499.1 498.9535 3.9 8 68.54 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.01 - 8.19 7.67 0 29 0.52

Structural Alerts

There are 8 structural alerts for CHEMBL1087375. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RRRXPPIDPYTNJG-UHFFFAOYSA-N
PubChem SID: 144210730 SID: 26757869
Wikipedia Perfluorooctanesulfonamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1087375



ACToR 754-91-6
ChEBI 138089
eMolecules 32345518
EPA CompTox Dashboard DTXSID3038939
FDA SRS 80AM718FML
Human Metabolome Database HMDB0061740
IBM Patent System E0310558725B8D5FAC83D52C94EBF885
MolPort MolPort-006-112-351
Nikkaji J27.719C
PubChem 69785
PubChem: Thomson Pharma 16382640
SureChEMBL SCHEMBL828147
ZINC ZINC000038141476

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/RRRXPPIDPYTNJG-UHFFFAOYSA-N spacer
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