SF-22   

GtoPdb Ligand ID: 6389

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 86.03
Molecular weight 356.04
XLogP 3.22
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccccc1N1CCCCC1
Isomeric SMILES Clc1ccc(s1)S(=O)(=O)Nc1ccccc1N1CCCCC1
InChI InChI=1S/C15H17ClN2O2S2/c16-14-8-9-15(21-14)22(19,20)17-12-6-2-3-7-13(12)18-10-4-1-5-11-18/h2-3,6-9,17H,1,4-5,10-11H2
InChI Key RXDWTDRPUXJDPY-UHFFFAOYSA-N