sulfadimethoxine   Click here for help

GtoPdb Ligand ID: 12638

Synonyms: Albon® (veterinary) | sulfadimethoxydiazine | sulphadimethoxine
Approved drug
sulfadimethoxine is an approved drug (FDA (1958))
Compound class: Synthetic organic
Comment: Sulfadimethoxine is a sulfonamide antibacterial compound. This class of compounds are competitive inhibitors of bacterial dihydropteroate synthase (DHPS), an enzyme in the pathway which generates the folic acid that is essential for bacterial growth.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 123.75
Molecular weight 310.33
XLogP -0.83
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COC1=CC(=NC(=N1)OC)NS(=O)(=O)C2=CC=C(C=C2)N
Isomeric SMILES COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC
InChI InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
InChI Key ZZORFUFYDOWNEF-UHFFFAOYSA-N