Nimesulide

C₁₃H₁₂N₂O₅SCAS 51803-78-2308.31 g/mol

Open in Covalent MOL file

Ether Nitro Sulfonamide

Properties

Molecular formula: C₁₃H₁₂N₂O₅S
Molar mass: 308.31 g/mol
Exact mass: 308.0467 Da
Melting point: 143–144.5 °C
logP: 2.76Crippen estimate
Polar surface area: 98.5 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 5

Identifiers

CAS number

51803-78-2

SMILES

CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1

InChIKey

HYWYRSMBCFDLJT-UHFFFAOYSA-N

InChI

InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

27 names · show all

Methanesulfonamide, N-(4-nitro-2-phenoxyphenyl)-
N-(4-Nitro-2-phenoxyphenyl)methanesulfonamide
4′-Nitro-2′-phenoxymethanesulfonanilide
R 805
2-Phenoxy-4-nitromethanesulfonanilide
4-Nitro-2-phenoxymethanesulfonanilide
Nisulid
Nimepast
R 805 (Pharmaceutical)
Mesulid
Aulin
Nimulid
Orthobid
Nise*gel
Flogovital
Nimed
Sulidene
Nizer
Lizepat
Nimsulid
Sulide
Mesulide
Nimalox
Sulidan
Nise
Nicip
Methosulide

Work with Nimesulide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Dinitrodiphenylamine961-68-246 % similar 2-Nitrodiphenyl ether2216-12-845 % similar 1,2-Dimethoxy-4-nitrobenzene709-09-142 % similar Benzaldehyde 2,4-dinitrophenylhydrazone1157-84-241 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-341 % similar 3-Nitroanisole555-03-341 % similar 2,4′-Dichloro-4-nitrodiphenyl ether22544-07-641 % similar Hc yellow 459820-43-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-[[(3-Amino-4-hydroxyphenyl)sulfonyl]amino]benzoic acid91-35-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook