Structure

InChI Key QWCJHSGMANYXCW-UHFFFAOYSA-N
Smile Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1
InChI
InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H14N4O2S
Molecular Weight 314.37
AlogP 2.26
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 90.01
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial dihydropteroate synthase inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 526-08-9
ChEBI 77780
ChEMBL CHEMBL1109
DrugBank DB06729
DrugCentral 2523
EPA CompTox DTXSID2044131
FDA SRS 0J8L4V3F81
Human Metabolome Database HMDB0015667
KEGG D01954
PharmGKB PA130231310
PubChem 5335
SureChEMBL SCHEMBL122040
ZINC ZINC000000057490