sulfamonomethoxine   Click here for help

GtoPdb Ligand ID: 12688

Synonyms: Daimeton®
Approved drug PDB Ligand
sulfamonomethoxine is an approved drug (Japan)
Compound class: Synthetic organic
Comment: Sulfamonomethoxine is a sulfonamide antibacterial compound.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 114.52
Molecular weight 280.3
XLogP -1.23
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COC1=CC(=NC=N1)NS(=O)(=O)C2=CC=C(C=C2)N
Isomeric SMILES COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI InChI=1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15)
InChI Key WMPXPUYPYQKQCX-UHFFFAOYSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel