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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL6853
CHEMBL6853
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H7FN2O2S

Additional synonyms for CHEMBL6853 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccc(cc1F)S(=O)(=O)N
Standard InChI InChI=1S/C6H7FN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2, ...
Download InChI
Standard InChI Key HVFBADWBKHAPKV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL6853

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
190.2 190.0212 0.06 1 86.18 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.89 .45 -.08 -.08 1 12 0.61

Structural Alerts

There are 3 structural alerts for CHEMBL6853. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HVFBADWBKHAPKV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL6853



BindingDB 10862
Brenda 75658 3751
eMolecules 29604354
EPA CompTox Dashboard DTXSID80405579
IBM Patent System B5D3F69A12CD45F3347DD9E2983709DE
Mcule MCULE-3289776659
MolPort MolPort-004-341-780
Nikkaji J1.003.845F
PubChem 4687472
PubChem: Thomson Pharma 15243900
SureChEMBL SCHEMBL1179872
ZINC ZINC000006925827

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