Structure

InChI Key PBCZLFBEBARBBI-UHFFFAOYSA-N
Smile Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1
InChI
InChI=1S/C13H12N2O3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,14H2,(H,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H12N2O3S
Molecular Weight 276.32
AlogP 1.39
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 89.26
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Cross References

Resources Reference
ChEBI 94677
ChEMBL CHEMBL1243
DrugBank DB09355
DrugCentral 3558
EPA CompTox DTXSID7045287
FDA SRS G58F8OPL4I
PDB BS4
PubChem 5319
SureChEMBL SCHEMBL93841
ZINC ZINC000005421253