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Home > Fluorides > 833455-63-3
833455-63-3 | Methanesulfonamide, 1,1,1-trifluoro-N-[3-(phenylsulfonyl)-4-pyridinyl]-
CAS No: 833455-63-3 Catalog No: AG0055S8 MDL No:
Product Description
Catalog Number:
AG0055S8
Chemical Name:
Methanesulfonamide, 1,1,1-trifluoro-N-[3-(phenylsulfonyl)-4-pyridinyl]-
CAS Number:
833455-63-3
Molecular Formula:
C12H9F3N2O4S2
Molecular Weight:
366.3361
IUPAC Name:
N-[3-(benzenesulfonyl)pyridin-4-yl]-1,1,1-trifluoromethanesulfonamide
InChI:
InChI=1S/C12H9F3N2O4S2/c13-12(14,15)23(20,21)17-10-6-7-16-8-11(10)22(18,19)9-4-2-1-3-5-9/h1-8H,(H,16,17)
InChI Key:
JDUAPUNMRHXADZ-UHFFFAOYSA-N
SMILES:
O=S(=O)(C(F)(F)F)Nc1ccncc1S(=O)(=O)c1ccccc1
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.996g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.329g/mol
Monoisotopic Mass:
365.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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