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265114-23-6 | Benzenesulfonamide, 4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl]-
CAS No: 265114-23-6 Catalog No: AG002TJ0 MDL No:
Product Description
Catalog Number:
AG002TJ0
Chemical Name:
Benzenesulfonamide, 4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl]-
CAS Number:
265114-23-6
Molecular Formula:
C16H13ClFN3O3S
Molecular Weight:
381.8091
IUPAC Name:
4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
InChI:
InChI=1S/C16H13ClFN3O3S/c1-24-14-7-2-10(8-13(14)18)15-16(17)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23)
InChI Key:
KYXDNECMRLFQMZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1F)c1c(Cl)ncn1c1ccc(cc1)S(=O)(=O)N
UNII:
W7FHJ107MC
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.035g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
381.806g/mol
Monoisotopic Mass:
381.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Does administration of non-steroidal anti-inflammatory drug determine morphological changes in adrenal cortex: ultrastructural studies. | Protoplasma 20101001 |
| The impact of neuroimmune dysregulation on neuroprotection and neurotoxicity in psychiatric disorders--relation to drug treatment. | Dialogues in clinical neuroscience 20090901 |
| Tolerance to coxibs in patients with intolerance to non-steroidal anti-inflammatory drugs (NSAIDs): a systematic structured review of the literature. | Archives of dermatological research 20070701 |
| NO-donor COX-2 inhibitors. New nitrooxy-substituted 1,5-diarylimidazoles endowed with COX-2 inhibitory and vasodilator properties. | Journal of medicinal chemistry 20070405 |
| Radiosynthesis and evaluation of 11C-labeled diaryl-substituted imidazole and indole derivatives for mapping cyclooxygenase-2. | Biological & pharmaceutical bulletin 20061001 |
| New water-soluble sulfonylphosphoramidic acid derivatives of the COX-2 selective inhibitor cimicoxib. A novel approach to sulfonamide prodrugs. | Journal of medicinal chemistry 20041021 |
| Synthesis and structure-activity relationship of a new series of COX-2 selective inhibitors: 1,5-diarylimidazoles. | Journal of medicinal chemistry 20030731 |
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