Celecoxib 100mg
Chemical Information
Celecoxib is a member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-sulfamoylphenyl, trifluoromethyl and p-tolyl groups, respectively. A cyclooxygenase-2 inhibitor, it is used in the treatment of arthritis. It has a role as a geroprotector, a non-steroidal anti-inflammatory drug, a non-narcotic analgesic and a cyclooxygenase 2 inhibitor. It is a member of pyrazoles, a member of toluenes, a sulfonamide and an organofluorine compound.
| CAS Number | 169590-42-5 |
| PubChem CID | 2662 |
| IUPAC Name | 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide |
| Molecular Formula | C17H14F3N3O2S |
| Molecular Weight | 381.4 |
| XLogP | 3.4 |
| Topological Polar Surface Area | 86.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 577 |
| Property | Value |
|---|---|
| Molecular Weight | 381.4 |
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 381.07588236 |
| Monoisotopic Mass | 381.07588236 |
| Topological Polar Surface Area | 86.4 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 577 |
| 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 |
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