sulfathiazole   Click here for help

GtoPdb Ligand ID: 12699

Synonyms: M&B 760 | Thiazamide®
Approved drug PDB Ligand
sulfathiazole is an approved drug (FDA (1945))
Compound class: Synthetic organic
Comment: Sulfathiazole is a sulfonamide antibacterial compound [5].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 118.23
Molecular weight 255.32
XLogP -0.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C1=C(C=CC(=C1)S(=O)(=O)NC2=NC=CS2)N
Isomeric SMILES C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2
InChI InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)
InChI Key JNMRHUJNCSQMMB-UHFFFAOYSA-N