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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

Structural Alerts

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

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 68.53 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

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
eMolecules 32345518
FDA SRS 80AM718FML
IBM Patent System E0310558725B8D5FAC83D52C94EBF885
IBM Patents WO1999026992A1 US4468425 US4007150 EP1907106A1 EP1385892B1 US4265831 US7500541 US5539024 US20050238987 EP1034204B1 WO2007008510A1 US4533713 EP1385892A2 US6063522 EP0980353B2 US20060065482 EP0255236A2 US6420607 WO1999016809A1 EP0007519A1 US7635722 EP1307236A2 US5626950 EP0648889A1 EP0255236B1 EP1809761A2 US20050074409 EP1774409A1 US20100056643 US7153812 US20080273061 EP0648889B1 US6313335 EP0021003A1 US4041003 US20060003167 EP0125826A2 EP0980353B1 US4370254 WO2002090402A2 US6818203 US20090215859 EP0640611A1 EP0856018B1 US5502251 WO2006014019A1 EP1098641A1 EP0980353A1 EP1516885A2 US20040192548 WO2002013874A2 EP0693476A1 US4497720 EP0915483A1 US20060093554 EP0856018A1 US5753568 US7285595 EP1023356A1 WO2005069859A2 US7550238 WO2005063842A1 EP0693476B1 EP0102240A2 US20030072713 WO1997014730A1 US5418128 WO2005106597A2 US5426205 US5905547 WO2000006143A1 WO2002081081A1 WO1998050349A1 EP0339137B1
MolPort MolPort-006-112-351
Nikkaji J27.719C
PubChem 69785
PubChem: Thomson Pharma 16382640
SureChEMBL SCHEMBL828147

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