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180194-80-3 | Methanesulfonamide, N-[3-(4-chlorophenoxy)-4-pyridinyl]-
CAS No: 180194-80-3 Catalog No: AG0021RQ MDL No:
Product Description
Catalog Number:
AG0021RQ
Chemical Name:
Methanesulfonamide, N-[3-(4-chlorophenoxy)-4-pyridinyl]-
CAS Number:
180194-80-3
Molecular Formula:
C12H11ClN2O3S
Molecular Weight:
298.7453
IUPAC Name:
N-[3-(4-chlorophenoxy)pyridin-4-yl]methanesulfonamide
InChI:
InChI=1S/C12H11ClN2O3S/c1-19(16,17)15-11-6-7-14-8-12(11)18-10-4-2-9(13)3-5-10/h2-8H,1H3,(H,14,15)
InChI Key:
KUEAEXWZVKGDAE-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Oc1cnccc1NS(=O)(=O)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.018g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.741g/mol
Monoisotopic Mass:
298.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and pharmacological evaluation of pyridinic analogues of nimesulide as cyclooxygenase-2 selective inhibitors. | Journal of medicinal chemistry 20041230 |
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