Structure

InChI Key IHCDKJZZFOUARO-UHFFFAOYSA-M
Smiles CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1.O.[Na+]
InChI
InChI=1S/C8H10N2O3S.Na.H2O/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;;/h2-5H,9H2,1H3,(H,10,11);;1H2/q;+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H11N2NaO4S
Molecular Weight 254.24
AlogP 0.09
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 89.26
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 14.0

Bioactivity

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

Cross References

Resources Reference
ChEBI 63858
ChEMBL CHEMBL1723241
FDA SRS 4NRT660KJQ
PubChem 6419954