Structure

InChI Key GECHUMIMRBOMGK-UHFFFAOYSA-N
Smile Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChI
InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H11N3O2S
Molecular Weight 249.3
AlogP 1.46
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 85.08
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial dihydropteroate synthase inhibitor ISBN

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 144-83-2
ChEBI 132842
ChEMBL CHEMBL700
DrugBank DB00891
DrugCentral 2524
EPA CompTox DTXSID3026067
FDA SRS Y5V2N1KE8U
Human Metabolome Database HMDB0015028
PDB SFY
PharmGKB PA164779050
PubChem 5336
SureChEMBL SCHEMBL44219
ZINC ZINC000000002105