Nimesulide

C13H12N2O5SCAS 51803-78-2308.31 g/mol

Open in Covalent MOL file
SOOHNN+OO−O
EtherNitroSulfonamide

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 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
5

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 108 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

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

1-Nitro-4-phenoxybenzene620-88-250 % similar 2,4-Dinitrodiphenylamine961-68-246 % similar 2-Nitrodiphenyl ether2216-12-845 % similar N-(4-(2-Aminoacetyl)-5-methoxy-2-phenoxyphenyl)methanesulfonamide hydrochloride149436-41-942 % 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 2,4-Dinitrophenylhydrazine119-26-641 % 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