Molecular Identity
Sulfamethoxazole
4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID: 5329
Sulfamethoxazole is an isoxazole (1,2-oxazole) compound having a methyl substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 3-position. It has a role as an antimicrobial agent, an antibacterial agent, an antiinfective agent, a xenobiotic, a P450 inhibitor, an EC 2.5.1.15 (dihydropteroate synthase) inhibitor, an epitope, an EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor, an environmental contaminant and a drug allergen. It is a sulfonamide, a substituted aniline, a member of isoxazoles and a sulfonamide antibiotic. It is functionally related to a sulfanilamide.
2D Structure
Properties
C10H11N3O3S
Molecular Formula
253.28
Molecular Weight
g/mol
253.0521
Exact Mass
Da
0.9
XLogP
Drug-like (Lipinski: < 5)
107
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
346
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NIsomeric SMILES
SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NSynonyms(20)
sulfamethoxazole723-46-6GantanolSulphamethoxazoleSulfisomezoleSulfamethoxazol4-Amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamideRadonilSinomin4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamideSulfamethylisoxazoleSulfamethalazoleAzo-gantanolUrobakSulfamethoxizole
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Sulfamethoxazole
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