Molecular Identity
Nimesulide
N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
PubChem CID: 4495
Nimesulide is an aromatic ether having phenyl and 2-methylsulfonamido-5-nitrophenyl as the two aryl groups. It has a role as a non-steroidal anti-inflammatory drug and a cyclooxygenase 2 inhibitor. It is a sulfonamide, an aromatic ether and a C-nitro compound. It is functionally related to a nitrobenzene.
2D Structure
Properties
C13H12N2O5S
Molecular Formula
308.31
Molecular Weight
g/mol
308.0467
Exact Mass
Da
2.6
XLogP
Drug-like (Lipinski: < 5)
110
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
450
Complexity
SMILES
Canonical SMILES
SMILES: CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2Isomeric SMILES
SMILES: CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2Synonyms(20)
nimesulide51803-78-2N-(4-Nitro-2-phenoxyphenyl)methanesulfonamideAulinR-805Nimesulida4-NITRO-2-PHENOXYMETHANESULFONANILIDEMethanesulfonamide, N-(4-nitro-2-phenoxyphenyl)-NimesulidumR 8054'-Nitro-2'-phenoxymethanesulfonanilideDTXSID3037250NSC-758412V4TKW1454MDTXCID1017250
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Nimesulide
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