sulfalene   

GtoPdb Ligand ID: 10174

Synonyms: Kelfizine® | sulfamethopyrazine | sulfamethoxypyrazine | sulfametopyrazine
Compound class: Synthetic organic
Comment: Sulfalene is a sulfonamide containing compound with antimalarial activity.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 115.58
Molecular weight 280.06
XLogP 0.77
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1nccnc1NS(=O)(=O)c1ccc(cc1)N
Isomeric SMILES COc1nccnc1NS(=O)(=O)c1ccc(cc1)N
InChI InChI=1S/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)
InChI Key KXRZBTAEDBELFD-UHFFFAOYSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel