2,5-Dimethyl-celecoxib

• Catalog Number: ACM457639268
• Product Name: 2,5-Dimethyl-celecoxib
• CAS: 457639-26-8
• Category: Main Products
• Synonyms: 2,5-dimethylcelecoxib, 457639-26-8, 2,5-dimethyl-celecoxib, Dimethyl Celecoxib, AGN-PC-00BARL, SureCN2228663, CHEMBL2163630, 4-[5-(2,5-dimethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide, 4-(5-(2,5-Dimethylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide\r\n, 4-[5-(2,5-dimethylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]-benzenesulfonamide
• IUPAC Name: 4-[5-(2,5-dimethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
• Molecular Weight: 395.40
• Molecular Formula: C₁₈H₁₆F₃N₃O₂S
• Canonical SMILES: CC1=CC(=C(C=C1)C)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
• InChI Key: NTFOSUUWGCDXEF-UHFFFAOYSA-N
• Appearance: solid
• Exact Mass: 395.09200
• H-Bond Acceptor: 7
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of 2,5-Dimethyl-celecoxib?

The molecular formula is C18H16F3N3O2S.

What are the synonyms for 2,5-Dimethyl-celecoxib?

The synonyms include 457639-26-8, 2,5-dimethylcelecoxib, 2,5-Dimethyl Celecoxib, and 2,5-dimethyl-celecoxib.

What is the molecular weight of 2,5-Dimethyl-celecoxib?

The molecular weight is 395.4 g/mol.

When was 2,5-Dimethyl-celecoxib created?

It was created on October 26, 2006.

When was 2,5-Dimethyl-celecoxib last modified?

It was last modified on October 21, 2023.

What is the IUPAC name of 2,5-Dimethyl-celecoxib?

The IUPAC name is 4-[5-(2,5-dimethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

What is the InChI of 2,5-Dimethyl-celecoxib?

The InChI is 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).

What is the InChIKey of 2,5-Dimethyl-celecoxib?

The InChIKey is NTFOSUUWGCDXEF-UHFFFAOYSA-N.

What is the canonical SMILES of 2,5-Dimethyl-celecoxib?

The canonical SMILES is CC1=CC(=C(C=C1)C)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F.

What is the CAS number of 2,5-Dimethyl-celecoxib?

The CAS number is 457639-26-8.