Methanesulfonamide, N-(4-nitro-2-phenoxyphenyl)-


Chemical Name: Methanesulfonamide, N-(4-nitro-2-phenoxyphenyl)-
CAS Number: 51803-78-2
Product Number: AG00I99E(AGN-PC-0JK6WH)
Synonyms:
MDL No:
Molecular Formula: C13H12N2O5S
Molecular Weight: 308.3098

Identification/Properties


Computed Properties
Molecular Weight:
308.308g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
308.047g/mol
Monoisotopic Mass:
308.047g/mol
Topological Polar Surface Area:
110A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
450
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



Nimesulide, a nonsteroidal anti-inflammatory drug (NSAID), is widely used in chemical synthesis due to its unique properties. In organic chemistry, Nimesulide can serve as a versatile building block for the synthesis of various compounds. Its sulfonamide moiety can be utilized as a masked amine group, enabling selective functionalization in the presence of other amine-containing compounds. Additionally, the presence of the nitro group in Nimesulide provides an opportunity for further derivatization through reduction or substitution reactions. Overall, Nimesulide's structural features make it a valuable tool for the synthesis of diverse chemical entities.