Sulfathiazole

A short-acting sulfonamide antibacterial agent formerly used for the treatment of bacterial infections. It acts as a competitive inhibitor of bacterial dihydropteroate synthase (DHPS), interfering with folate biosynthesis and thereby inhibiting bacterial growth. Its systemic use has largely been replaced by safer and more effective antibacterial agents

Compound Structure

CAS Number: 72-14-0

Molecular Mass: 255.3 g/mol

Formula: C9H9N3O2S2

Smiles: Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

Synonymes:

Bioactivity: Sulfonamide antibacterial; dihydropteroate synthase (DHPS) inhibitor

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Octanol 298.15 - 0.1529 [50]
1-Octanol 303.15 - 0.2081 [50]
1-Octanol 308.15 - 0.2675 [50]
1-Octanol 313.15 - 0.327 [50]
Water 298.15 - 0.4594 [50]
Water 303.15 - 0.6114 [50]
Water 308.15 - 0.8338 [50]
Water 313.15 - 1.033 [50]

Molecule 3D descriptors

Descriptor Value
PMI1 438.4556
PMI2 2251.3922
PMI3 2478.1188
NPR1 0.1769
NPR2 0.9085
RadiusOfGyration 3.1813
InertialShapeFactor 0.0021
Eccentricity 0.9842
Asphericity 0.5615
SpherocityIndex 0.0809
PBF 0.4611