Cimicoxib
4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
Also Known As: Cimicoxib|Cimalgex|cimicoxibum|Cimicoxib [INN]|UR-8880|CIMICOXIB [MI]|Cimicoxib (ema epar: veterinary)|UR-8880 (Cimicoxib)?|4-(4-Chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl)benzenesulfonamide|NCGC00531794-01|UR 8880;UR-8880;UR8880|4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl]benzenesulfonamide|4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide|Benzenesulfonamide, 4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl]-|B2692-064576|4-(4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl)benzenesulfonamide|4-[4-Chloro-5-(3-Fluoro-4-Methoxy-Phenyl)Imidazol-1-Yl]Benzenesulfonamide
| Molecular Formula | C16H13ClFN3O3S |
|---|---|
| Molecular Weight | 381.035 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.035 |
| Monoisotopic Mass | 381.035 |
| Heavy Atoms | 25 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 31991-54-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)N)Cl)F |
| InChIKey | KYXDNECMRLFQMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cimicoxib (CAS 31991-54-5), with molecular formula C16H13ClFN3O3S and molecular weight 381.035 g/mol. IUPAC: 4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide.
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