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Home > Sulfanilamide > 111607-61-5
111607-61-5 | Benzenesulfonamide, 4-[5-(4-methylphenyl)-3-phenyl-1H-pyrazol-1-yl]-
CAS No: 111607-61-5 Catalog No: AG007AD0 MDL No:
Product Description
Catalog Number:
AG007AD0
Chemical Name:
Benzenesulfonamide, 4-[5-(4-methylphenyl)-3-phenyl-1H-pyrazol-1-yl]-
CAS Number:
111607-61-5
Molecular Formula:
C22H19N3O2S
Molecular Weight:
389.4702
IUPAC Name:
4-[5-(4-methylphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide
InChI:
InChI=1S/C22H19N3O2S/c1-16-7-9-18(10-8-16)22-15-21(17-5-3-2-4-6-17)24-25(22)19-11-13-20(14-12-19)28(23,26)27/h2-15H,1H3,(H2,23,26,27)
InChI Key:
KLLQGMBEHMCOOA-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)N)c1ccccc1
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.12g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.473g/mol
Monoisotopic Mass:
389.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| CYP2C9 structure-metabolism relationships: substrates, inhibitors, and metabolites. | Journal of medicinal chemistry 20071101 |
| CYP2C9 structure-metabolism relationships: optimizing the metabolic stability of COX-2 inhibitors. | Journal of medicinal chemistry 20070906 |
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