compound 9 [PMID: 11606127]

Ligand id: 8833

Name: compound 9 [PMID: 11606127]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 89.6
Molecular weight 356.13
XLogP 4.14
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-amino-N-(2-phenylpyrazol-3-yl)-N-propan-2-ylbenzenesulfonamide
Database Links
ChEMBL Ligand CHEMBL121323
PubChem CID 11100382
Search Google for chemical match using the InChIKey XBGCSAANSNGXGH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XBGCSAANSNGXGH
Search UniChem for chemical match using the InChIKey XBGCSAANSNGXGH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XBGCSAANSNGXGH
Comments
Compound 9 is one of the sulfaphenazole derivatives designed in a study to identify selective inhibitors for cytochrome P450 enzymes of the 2C subfamily [1].