nimesulide   

GtoPdb Ligand ID: 7401

Synonyms: R-805
nimesulide is an approved drug
Compound class: Synthetic organic
Comment: Nimesulide is a non-steroidal anti-inflammatory drug (NSAID), with analgesic and antipyretic properties.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 106.92
Molecular weight 308.05
XLogP 2.63
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES [O-][N+](=O)c1ccc(c(c1)Oc1ccccc1)NS(=O)(=O)C
Isomeric SMILES [O-][N+](=O)c1ccc(c(c1)Oc1ccccc1)NS(=O)(=O)C
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
InChI Key HYWYRSMBCFDLJT-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Ligand families/groups Non-steroidal anti-inflammatory ligands
Approved drug? Yes
Withdrawn drug? Yes
IUPAC Name
N-[4-nitro-2-(phenoxy)phenyl]methanesulfonamide
International Nonproprietary Names
INN number INN
4885 nimesulide
Synonyms
R-805
Database Links
CAS Registry No. 51803-78-2
ChEMBL Ligand CHEMBL56367
DrugBank Ligand DB04743
DrugCentral Ligand 1935
GtoPdb PubChem SID 178103973
PubChem CID 4495
RCSB PDB Ligand NIM
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Nimesulide
Cat. No. 2470