zonisamide   Click here for help

GtoPdb Ligand ID: 7047

Synonyms: AD-810 | CI-912 | PD-110843 | Zonegran®
Approved drug PDB Ligand
zonisamide is an approved drug (FDA (2000), EMA (2005))
Compound class: Synthetic organic
Comment: Zonisamide is a sulfonamide anticonvulsant.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 94.57
Molecular weight 212.03
XLogP 0.51
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NS(=O)(=O)Cc1noc2c1cccc2
Isomeric SMILES NS(=O)(=O)Cc1noc2c1cccc2
InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
InChI Key UBQNRHZMVUUOMG-UHFFFAOYSA-N
References
1. Sethi KK, Vullo D, Verma SM, Tanç M, Carta F, Supuran CT. (2013)
Carbonic anhydrase inhibitors: synthesis and inhibition of the human carbonic anhydrase isoforms I, II, VII, IX and XII with benzene sulfonamides incorporating 4,5,6,7-tetrabromophthalimide moiety.
Bioorg. Med. Chem., 21 (19): 5973-82. [PMID:23965175]