| CAS Number | 135529-16-7 |
| Catalog Number | AG009F8Y(AGN-PC-0WOYBB) |
| Chemical Name | 4-Amino-N-(4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)benzenesulfonamide (Sulfamethoxazole Impurity) |
| IUPAC Name | 4-amino-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide |
| InChI | InChI=1S/C16H16N4O5S2/c1-11-10-16(18-25-11)20-27(23,24)15-8-4-13(5-9-15)19-26(21,22)14-6-2-12(17)3-7-14/h2-10,19H,17H2,1H3,(H,18,20) |
| InChI Key | ULRBBWWPWOJYFE-UHFFFAOYSA-N |
| MDL Number | MFCD27967044 |
| Molecular Formula | C16H16N4O5S2 |
| Molecular Weight | 408.4520 |
| SMILES | NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=C(C=C1)S(NC1=NOC(=C1)C)(=O)=O |
| Synonyms | 135529-16-7,
N-(4-Aminobenzenesulfonyl) Sulfamethoxazole,
DTXSID10746982,
ZINC77270915,
FT-0661584,
J-006713,
4-[[(4-Aminophenyl)sulphonyl]amino]-N-(5-methylisoxazol-3-yl)benzenesulphonamide,
4-amino-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide,
4-Amino-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]benzenesulfonamide,
4-Amino-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}benzene-1-sulfonamide,
Sulfamethoxazole EP Impurity B,
ULRBBWWPWOJYFE-UHFFFAOYSA-N,
CS-T-01916,
|
| Complexity | 687 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 408.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 408.447g/mol |
| Monoisotopic Mass | 408.056g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 161A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number