N-(2,6-DICHLORO-4-NITROPHENYL)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 LGLQWFNMGMIHSZ-UHFFFAOYSA-N
Smiles [O-][N+](=O)c1cc(Cl)c(NS(=O)(=O)c2ccccc2)c(Cl)c1
InChI
InChI=1S/C12H8Cl2N2O4S/c13-10-6-8(16(17)18)7-11(14)12(10)15-21(19,20)9-4-2-1-3-5-9/h1-7,15H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H8Cl2N2O4S
Molecular Weight 347.17
AlogP 3.54
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 100.37
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 21.0

Cross References

Resources Reference
ChEMBL CHEMBL2285844
PubChem 13982054
CONTENTS