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Home > Pyridines > 180194-78-9
180194-78-9 | Methanesulfonamide, N-(3-phenoxy-4-pyridinyl)-
CAS No: 180194-78-9 Catalog No: AG0021RR MDL No:
Product Description
Catalog Number:
AG0021RR
Chemical Name:
Methanesulfonamide, N-(3-phenoxy-4-pyridinyl)-
CAS Number:
180194-78-9
Molecular Formula:
C12H12N2O3S
Molecular Weight:
264.3003
IUPAC Name:
N-(3-phenoxypyridin-4-yl)methanesulfonamide
InChI:
InChI=1S/C12H12N2O3S/c1-18(15,16)14-11-7-8-13-9-12(11)17-10-5-3-2-4-6-10/h2-9H,1H3,(H,13,14)
InChI Key:
CQEDUEBRINEBGP-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)Nc1ccncc1Oc1ccccc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.299g/mol
Monoisotopic Mass:
264.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Pyridine analogues of nimesulide: design, synthesis, and in vitro and in vivo pharmacological evaluation as promising cyclooxygenase 1 and 2 inhibitors. | Journal of medicinal chemistry 20091008 |
| Design, synthesis, and pharmacological evaluation of pyridinic analogues of nimesulide as cyclooxygenase-2 selective inhibitors. | Journal of medicinal chemistry 20041230 |
| Spectral and crystallographic study of pyridinic analogues of nimesulide: determination of the active form of methanesulfonamides as COX-2 selective inhibitors. | Journal of medicinal chemistry 20021107 |
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