N-(4-CHLORO-PHENYL)-4-(3-P-TOLYL-THIOUREIDO)-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 RRNJTBKEFICRFS-UHFFFAOYSA-N
Smiles Cc1ccc(NC(=S)Nc2ccc(cc2)S(=O)(=O)Nc3ccc(Cl)cc3)cc1
InChI
InChI=1S/C20H18ClN3O2S2/c1-14-2-6-16(7-3-14)22-20(27)23-17-10-12-19(13-11-17)28(25,26)24-18-8-4-15(21)5-9-18/h2-13,24H,1H3,(H2,22,23,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H18ClN3O2S2
Molecular Weight 431.96
AlogP 6.01
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 110.7
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Cross References

Resources Reference
ChEMBL CHEMBL393483
PubChem 19678521
SureChEMBL SCHEMBL15840818
ZINC ZINC13936074
CONTENTS