N-(6-(2,4-DIOXOTHIAZOLIDIN-3-YL)HEXYL)BENZENESULFONAMIDE

/static/temp/default.svg Search structure
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key RSPWSSQOYCAOKY-UHFFFAOYSA-N
Smiles O=C1CSC(=O)N1CCCCCCNS(=O)(=O)c2ccccc2
InChI
InChI=1S/C15H20N2O4S2/c18-14-12-22-15(19)17(14)11-7-2-1-6-10-16-23(20,21)13-8-4-3-5-9-13/h3-5,8-9,16H,1-2,6-7,10-12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H20N2O4S2
Molecular Weight 356.46
AlogP 2.37
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 117.22
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 37.5-69.45

Cross References

Resources Reference
ChEMBL CHEMBL2234574
PubChem 76329628
CONTENTS