This paper presents a DFT quantum chemical investigation of the molecular conformation, NMR chemical shifts and vibrational transitions of N-(2-methylphenyl)methanesulfonamide and N-(3-methylphenyl)methanesulfonamide (C 8 H 11 NO 2 S) employing B3LYP exchange correlation. The vibrational wavenumbers
N-(2-Methylphenyl)methanesulfonamide
✍ Scribed by Gowda, B. Thimme ;Foro, Sabine ;Fuess, Hartmut
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 622 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
The structure of the title compound, C 10 H 15 NO 2 S, resembles those of other methanesulfonanilides, with similar geometric parameters except for some differences in the bond and torsion angles. The amide H atom lies on one side of the plane of the benzene ring, while the methanesulfonyl group is
FJ6, N-methyl-N-(4-nitro-2-phenoxyphenyl)methanesulfonamide, C 14 H 14 N 2 O 5 S, is an analogue of nimesulide, a selective inhibitor of cyclooxygenase-2. The structure of the title compound has been characterized to understand its inactivity towards cyclooxygenase-2.