21312-10-7
Product Name:
4-ACETYLAMINO-N-(5-METHYL-3-ISOXAZOLYL)BENZENESULFONAMIDE
Formula:
C12H13N3O4S
Synonyms:
N-{4-{[(5-Methyl-3-isoxazolyl)amino]sulfonyl}phenyl}acetamide;N4-Acetylsulfamethoxazole;Sulfisomezole-N4-acetate
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| LogP | 0.86 |
| Collision Cross Section | 171.45 Ų [M+H]+ [CCS Type: DT, Method: stepped-field] |
| Kovats Retention Index | 2648 |
COMPUTED DESCRIPTORS
| Molecular Weight | 295.32 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 295.06267708 g/mol |
| Monoisotopic Mass | 295.06267708 g/mol |
| Topological Polar Surface Area | 110 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 440 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
N-acetylsulfamethoxazole is a sulfonamide compound having a 4-acetamidophenyl group attached to the sulfur atom and a 1,2-oxazol-3-yl group attached to the nitrogen atom. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is a member of isoxazoles and a sulfonamide. It is functionally related to a sulfamethoxazole and a sulfanilamide.
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