SF-21   Click here for help

GtoPdb Ligand ID: 6405

Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 67.02
Molecular weight 358.11
XLogP 2.24
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES Clc1ccc(cc1)S(=O)(=O)NC1CCCCC1N1CCOCC1
Isomeric SMILES Clc1ccc(cc1)S(=O)(=O)NC1CCCCC1N1CCOCC1
InChI InChI=1S/C16H23ClN2O3S/c17-13-5-7-14(8-6-13)23(20,21)18-15-3-1-2-4-16(15)19-9-11-22-12-10-19/h5-8,15-16,18H,1-4,9-12H2
InChI Key AYQCZQKMGKDZPS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-chloro-N-(2-morpholin-4-ylcyclohexyl)benzenesulfonamide
Database Links Click here for help
ChEMBL Ligand CHEMBL1521361
GtoPdb PubChem SID 178103021
PubChem CID 2911646
Search Google for chemical match using the InChIKey AYQCZQKMGKDZPS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AYQCZQKMGKDZPS
Search UniChem for chemical match using the InChIKey AYQCZQKMGKDZPS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AYQCZQKMGKDZPS