| CAS Number | 82875-49-8 |
| Catalog Number | AG00G56N(AGN-PC-0WBNEQ) |
| Chemical Name | 3-Dehydroxy Chlorthalidone |
| IUPAC Name | 2-chloro-5-(3-oxo-1,2-dihydroisoindol-1-yl)benzenesulfonamide |
| InChI | InChI=1S/C14H11ClN2O3S/c15-11-6-5-8(7-12(11)21(16,19)20)13-9-3-1-2-4-10(9)14(18)17-13/h1-7,13H,(H,17,18)(H2,16,19,20) |
| InChI Key | NPCMXXHTULKTQS-UHFFFAOYSA-N |
| MDL Number | MFCD31561978 |
| Molecular Formula | C14H11ClN2O3S |
| Molecular Weight | 322.7667 |
| SMILES | NS(=O)(=O)c1cc(ccc1Cl)C2NC(=O)c3ccccc23 |
| Synonyms | 3-Dehydroxy Chlorthalidone,
82875-49-8,
Chlorthalidone Impurity E,
|
| Complexity | 519 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.763g/mol |
| Monoisotopic Mass | 322.018g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 97.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number