KJ5

4-ethyl-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide

Created:	2019-05-22
Last modified:	2020-04-15

Find Related PDB Entry
1 entries where KJ5 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	6

2D diagram of KJ5

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-ethyl-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	4-ethyl-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
Formula	C₈ H₇ F₄ N O₂ S
Molecular Weight	257.205
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F
Canonical SMILES	CACTVS	3.385	CCc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F
InChI	InChI	1.03	InChI=1S/C8H7F4NO2S/c1-2-3-4(9)6(11)8(16(13,14)15)7(12)5(3)10/h2H2,1H3,(H2,13,14,15)
InChIKey	InChI	1.03	HHQRZAKPYDZJGB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	146019244

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.