sulfisoxazole   Click here for help

GtoPdb Ligand ID: 12700

Synonyms: Gantrisin® | NU-445 | sulfafurazole | sulphafurazole
Approved drug
sulfisoxazole is an approved drug (FDA (1948))
Compound class: Synthetic organic
Comment: Sulfisoxazole (sulfafurazole) is a sulfonamide antibacterial compound [4-5].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 102.16
Molecular weight 267.31
XLogP 0.55
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC1=C(NS(=O)(=O)C2=CC=C(C=C2)N)ON=C1C
Isomeric SMILES CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N
InChI InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3
InChI Key NHUHCSRWZMLRLA-UHFFFAOYSA-N