Structure

InChI Key FDDDEECHVMSUSB-UHFFFAOYSA-N
Smile Nc1ccc(S(N)(=O)=O)cc1
InChI
InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8N2O2S
Molecular Weight 172.21
AlogP -0.08
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 86.18
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 11.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial dihydropteroate synthase inhibitor PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Immune system disorders
24.44
Nervous system disorders
17.78
General disorders and administration site conditions
13.33
Psychiatric disorders
8.89
Vascular disorders
6.67
Cardiac disorders
4.44
Eye disorders
4.44
Gastrointestinal disorders
4.44
Infections and infestations
4.44
Musculoskeletal and connective tissue disorders
4.44
Reproductive system and breast disorders
4.44
Skin and subcutaneous tissue disorders
2.22

Cross References

Resources Reference
CAS NUMBER 63-74-1
ChEBI 45373
ChEMBL CHEMBL21
DrugBank DB00259
DrugCentral 2521
EPA CompTox DTXSID4023622
FDA SRS 21240MF57M
Human Metabolome Database HMDB0014404
KEGG C07458
PDB SAN
PharmGKB PA451545
PubChem 5333
SureChEMBL SCHEMBL740
ZINC ZINC000000002101