Compound Summary
457639-26-8
Compound Information
457639-26-8
Compound Name: | 457639-26-8 |
Compound CID: | 11545682 |
Synonyms: | 457639-26-8 2,5-dimethylcelecoxib 2,5-Dimethyl Celecoxib 2,5-dimethyl-celecoxib 4-(5-(2,5-Dimethylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide More... |
Iupac Name: | 4-[5-(2,5-dimethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide |
InChI: | InChI=1S/C18H16F3N3O2S/c1-11-3-4-12(2)15(9-11)16-10-17(18(19,20)21)23-24(16)13-5-7-14(8-6-13)27(22,25)26/h3-10H,1-2H3,(H2,22,25,26) |
InChIKey: | NTFOSUUWGCDXEF-UHFFFAOYSA-N |
Canonical Smiles: | CC1=CC(=C(C=C1)C)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F |
Isomeric Smiles: | CC1=CC(=C(C=C1)C)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F |
Molecular Weight: | 395.4 |
Molecular Formula: | C18H16F3N3O2S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
457639-26-8
Molecular Weight: | 395.4 |
Molecular Formula: | C18H16F3N3O2S |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 27 |
Complexity: | 614 |
Synonyms
457639-26-8
| 457639-26-8 | 457639-26-8 |
|---|---|
457639-26-8 |
2,5-dimethylcelecoxib |
2,5-Dimethyl Celecoxib |
2,5-dimethyl-celecoxib |
4-(5-(2,5-Dimethylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide |
4-5-(2,5-dimethylphenyl)-3-(trifluoromethyl)pyrazol-1-ylbenzenesulfonamide |
4-5-(2,5-dimethylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl-benzenesulfonamide |
dimethylcelecoxib |
4-5-(2,5-dimethylphenyl)-3-(trifluoromethyl)-1h-pyrazol-1-ylbenzenesulfonamide |
Dimethyl Celecoxib |
2,5-dimethyl Celecoxib, DMC |
SCHEMBL2228663 |
CHEMBL2163630 |
DTXSID00196614 |
BCP08101 |
ZINC34660892 |
AKOS027475480 |
CCG-357033 |
MCULE-4846418554 |
NCGC00485044-01 |
2,5-Dimethyl-celecoxib, >=98% (HPLC) |
D-150 |
FT-0667393 |
2,5-Dimethylcelecoxib 100 microg/mL in Acetonitrile |
2,5-Dimethyl-celecoxib, VETRANAL(TM), analytical standard |
4-5-(2,5-dimethylphenyl)-3-(trifluoromethyl)pyrazol-1-ylbenzenesulfonamide. |
Experimental Data
457639-26-8
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Drosophila melanogaster | 0.500000000000000 | umol/L | 41.900000000000000 | 45.700000000000000 | 9.100000000000000 | S | w1118 | MALES | 28025308 | Active | |||
| Drosophila melanogaster | 0.200000000000000 | umol/L | 41.900000000000000 | 46.500000000000000 | 11.000000000000000 | S | w1118 | MALES | 28025308 | Active |
Experimental Data Visualization
457639-26-8
Statistics Data
457639-26-8
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Drosophila melanogaster | 11.000000000000000 | 1 | 2 |
Statistics Data Visualization
457639-26-8
