sulfamerazine   Click here for help

GtoPdb Ligand ID: 12640

Synonyms: 2-sulfanilamido-4-methylpyrimidine | sulfamethyldiazine | sulphamerazine
Approved drug
sulfamerazine is an approved drug (FDA (1949))
Compound class: Synthetic organic
Comment: Sulfamerazine is a sulfonamide antibacterial compound [4]. 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 6
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 105.29
Molecular weight 264.31
XLogP -1.28
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC1=CC=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N
Isomeric SMILES CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)
InChI Key QPPBRPIAZZHUNT-UHFFFAOYSA-N
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Molecular structure representations generated using Open Babel