N-(4-FLUORO-PHENYL)-4-METHYL-BENZENESULFONAMIDE

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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 FVZXDKXFEPVJRE-UHFFFAOYSA-N
Smiles Cc1ccc(cc1)S(=O)(=O)Nc2ccc(F)cc2
InChI
InChI=1S/C13H12FNO2S/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 C13H12FNO2S
Molecular Weight 265.3
AlogP 3.01
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 CHEMBL182556
PubChem 853960
SureChEMBL SCHEMBL6555446
ZINC ZINC00401384
CONTENTS