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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL7087
CHEMBL7087
Compound Name
ChEMBL Synonyms 4-(2-Aminoethyl)Benzenesulfonamide
Max Phase 0
Trade Names
Molecular Formula C8H12N2O2S

Additional synonyms for CHEMBL7087 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCc1ccc(cc1)S(=O)(=O)N
Standard InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5 ...
Download InChI
Standard InChI Key FXNSVEQMUYPYJS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL7087

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
200.3 200.0619 -0.16 3 86.18 BASE


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
10.15 9.44 -.31 -2.34 1 13 0.71

Structural Alerts

There are no structural alerts for CHEMBL7087

Compound Cross References

ChemSpider ChemSpider:FXNSVEQMUYPYJS-UHFFFAOYSA-N
PubChem SID: 24841210

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL7087



ACToR 70572-60-0 35303-76-5
BindingDB 10861
Brenda 3750 125693 13883 197364 37050
ChemicalBook CB5480434
DrugBank DB08782
eMolecules 493837
EPA CompTox Dashboard DTXSID20188814
IBM Patent System BC61F43BB448C31729636C81B986CE99
LINCS LSM-6551
Mcule MCULE-4704040096
MolPort MolPort-000-679-684
Nikkaji J236.453K
PDBe ZYX
PubChem 169682
PubChem: Thomson Pharma 14968921
SureChEMBL SCHEMBL142107
ZINC ZINC000000056629

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