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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL266026
CHEMBL266026
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H15N3O4S2

Additional synonyms for CHEMBL266026 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)S(=O)(=O)N
Standard InChI InChI=1S/C13H15N3O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10- ...
Download InChI
Standard InChI Key HHCXOFYGBAPOJR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL266026

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
341.4 341.0504 0.39 5 132.35 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 7 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.05 2.13 -.59 -.59 2 22 0.68

Structural Alerts

There are 4 structural alerts for CHEMBL266026. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HHCXOFYGBAPOJR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL266026



BindingDB 10871
Brenda 24610 4734 75666
IBM Patent System 8C5EEC97E7127DE19F84D817E5029B7D
Mcule MCULE-5136189306
Nikkaji J2.010.356F
PubChem 4422372
PubChem: Thomson Pharma 15249705
SureChEMBL SCHEMBL3789773
ZINC ZINC000006392199

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