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775344-85-9 | Benzenesulfonamide,2,4,6-trimethyl-3-(5-methyl-4-phenyl-3-isoxazolyl)-
CAS No: 775344-85-9 Catalog No: AG005T7H MDL No:
Product Description
Catalog Number:
AG005T7H
Chemical Name:
Benzenesulfonamide,2,4,6-trimethyl-3-(5-methyl-4-phenyl-3-isoxazolyl)-
CAS Number:
775344-85-9
Molecular Formula:
C19H20N2O3S
Molecular Weight:
356.4387
IUPAC Name:
2,4,6-trimethyl-3-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzenesulfonamide
InChI:
InChI=1S/C19H20N2O3S/c1-11-10-12(2)19(25(20,22)23)13(3)16(11)18-17(14(4)24-21-18)15-8-6-5-7-9-15/h5-10H,1-4H3,(H2,20,22,23)
InChI Key:
RIQHWGLHJKTWMQ-UHFFFAOYSA-N
SMILES:
Cc1onc(c1c1ccccc1)c1c(C)cc(c(c1C)S(=O)(=O)N)C
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.119g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.44g/mol
Monoisotopic Mass:
356.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Novel synthesis of 3,4-diarylisoxazole analogues of valdecoxib: reversal cyclooxygenase-2 selectivity by sulfonamide group removal. | Journal of medicinal chemistry 20040923 |
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