| CAS Number | 17103-52-5 |
| Catalog Number | AG01E2QF(AGN-PC-0N4KDE) |
| Chemical Name | Isosulfamethoxazole |
| IUPAC Name | 4-amino-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide |
| InChI | InChI=1S/C10H11N3O3S/c1-7-6-10(16-12-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6,13H,11H2,1H3 |
| InChI Key | KBLGZYOVYFTAOB-UHFFFAOYSA-N |
| MDL Number | MFCD09813423 |
| Molecular Formula | C10H11N3O3S |
| Molecular Weight | 253.2776 |
| SMILES | NC1=CC=C(C=C1)S(=O)(=O)NC1=CC(=NO1)C |
| UNII | C3XMP53EZ8 |
| Synonyms | UNII-C3XMP53EZ8,
C3XMP53EZ8,
CHEMBL283941,
17103-52-5,
4-amino-N-(3-methyl-5-isoxazolyl)benzenesulfonamide,
Isosulfamethoxazole,
Sulfamethoxazole impurity F,
Sulfamethoxazole impurity F [USP-MC],
Sulfanilamide, N1-(3-methyl-5-isoxazolyl)-,
Benzenesulfonamide, 4-amino-N-(3-methyl-5-isoxazolyl)-,
CTK7D7931,
BDBM50034474,
AKOS000162123,
4-Amino-N-(3-methyl-isoxazol-5-yl)-benzenesulfonamide,
4-AMINO-N-(3-METHYL-1,2-OXAZOL-5-YL)BENZENE-1-SULFONAMIDE,
CID10444974,
4-amino-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.276g/mol |
| Monoisotopic Mass | 253.052g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number