3,5-BIS-(4-CHLORO-PHENYL)-THIOMORPHOLINE 1,1-DIOXIDE

/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 XDDLYWOSAJDFKL-UHFFFAOYSA-N
Smiles Clc1ccc(cc1)C2CS(=O)(=O)CC(N2)c3ccc(Cl)cc3
InChI
InChI=1S/C16H15Cl2NO2S/c17-13-5-1-11(2-6-13)15-9-22(20,21)10-16(19-15)12-3-7-14(18)8-4-12/h1-8,15-16,19H,9-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H15Cl2NO2S
Molecular Weight 356.27
AlogP 3.75
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 54.55
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Cross References

Resources Reference
ChEMBL CHEMBL2259962
PubChem 15509376
CONTENTS