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Sulfamethoxazole

CAT: 0024-sc-208405CSize: 100 gDry Ice: NoHazardous: No
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CAT#:0024-sc-208405CSize:100 g
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CAS Number
723-46-6

Chemical Information

Sulfamethoxazole

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.

CAS Number723-46-6
PubChem CID5329
IUPAC Name4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
Molecular FormulaC10H11N3O3S
Molecular Weight253.28
XLogP0.9
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity346
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
InChIKey
JLKIGFTWXXRPMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulfamethoxazole
CAS: 723-46-6
CID: 5329
Formula: C10H11N3O3S
MW: 253.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight253.28
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass253.05211239
Monoisotopic Mass253.05211239
Topological Polar Surface Area107 Ų
Heavy Atom Count17
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes