Compound Summary
457639-26-8
Compound Information
457639-26-8
Compound Name: | 457639-26-8 |
Compound CID: | 11545682 |
Synonyms: | 457639-26-8 |
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
Experimental Data
457639-26-8
Experimental Data Visualization
457639-26-8
Statistics Data
457639-26-8
Statistics Data Visualization
457639-26-8
