N-(4-BROMOPHENYL)-4-METHYLBENZENESULFONAMIDE

/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 RIBFVUXANOZLHJ-UHFFFAOYSA-N
Smiles Cc1ccc(cc1)S(=O)(=O)Nc2ccc(Br)cc2
InChI
InChI=1S/C13H12BrNO2S/c1-10-2-8-13(9-3-10)18(16,17)15-12-6-4-11(14)5-7-12/h2-9,15H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H12BrNO2S
Molecular Weight 326.21
AlogP 3.55
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 54.55
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Cross References

Resources Reference
ChEMBL CHEMBL2285825
PubChem 182097
SureChEMBL SCHEMBL6831830
CONTENTS