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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1571431
CHEMBL1571431
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H15ClN2O3S

Additional synonyms for CHEMBL1571431 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(Cl)cc1NS(=O)(=O)N2CCOCC2
Standard InChI InChI=1S/C11H15ClN2O3S/c1-9-2-3-10(12)8-11(9)13-18(15,16)14- ...
Download InChI
Standard InChI Key QAGMSGKJIFYBFO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1571431

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
290.8 290.0492 1.17 3 67.02 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.99 - 1.79 1.25 1 18 0.91

Structural Alerts

There are 1 structural alerts for CHEMBL1571431. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QAGMSGKJIFYBFO-UHFFFAOYSA-N
PubChem SID: 49724553

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1571431



Mcule MCULE-3945214158
PubChem 6458248
ZINC ZINC000006701868

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