JFX

4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide

Created:	2019-06-12
Last modified:	2020-04-01

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1 entries where JFX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	10

2D diagram of JFX

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Chemical Component Summary
Name	4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	4-fluoranyl-~{N}-(3-methyl-1~{H}-indazol-5-yl)butane-1-sulfonamide
Formula	C₁₂ H₁₆ F N₃ O₂ S
Molecular Weight	285.338
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc2c1c(ccc(c1)NS(CCCCF)(=O)=O)nn2
SMILES	CACTVS	3.385	Cc1n[nH]c2ccc(N[S](=O)(=O)CCCCF)cc12
SMILES	OpenEye OEToolkits	2.0.7	Cc1c2cc(ccc2[nH]n1)NS(=O)(=O)CCCCF
Canonical SMILES	CACTVS	3.385	Cc1n[nH]c2ccc(N[S](=O)(=O)CCCCF)cc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c2cc(ccc2[nH]n1)NS(=O)(=O)CCCCF
InChI	InChI	1.03	InChI=1S/C12H16FN3O2S/c1-9-11-8-10(4-5-12(11)15-14-9)16-19(17,18)7-3-2-6-13/h4-5,8,16H,2-3,6-7H2,1H3,(H,14,15)
InChIKey	InChI	1.03	AHVAAGWAEHSRBU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137523337

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.