PK4

2-fluoro-N,3-dimethylbenzene-1-sulfonamide

Created:	2019-08-12
Last modified:	2020-09-30

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3 entries where PK4 is found as a standalone ligand

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

2D diagram of PK4

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Chemical Component Summary
Name	2-fluoro-N,3-dimethylbenzene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	2-fluoranyl-~{N},3-dimethyl-benzenesulfonamide
Formula	C₈ H₁₀ F N O₂ S
Molecular Weight	203.234
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CNS(c1c(c(C)ccc1)F)(=O)=O
SMILES	CACTVS	3.385	CN[S](=O)(=O)c1cccc(C)c1F
SMILES	OpenEye OEToolkits	2.0.6	Cc1cccc(c1F)S(=O)(=O)NC
Canonical SMILES	CACTVS	3.385	CN[S](=O)(=O)c1cccc(C)c1F
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cccc(c1F)S(=O)(=O)NC
InChI	InChI	1.03	InChI=1S/C8H10FNO2S/c1-6-4-3-5-7(8(6)9)13(11,12)10-2/h3-5,10H,1-2H3
InChIKey	InChI	1.03	PXJRMCHXJXWNJG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	126782062

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.