SXG

2,3,4,5,6-pentafluoro-N-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide

Created:	2019-07-26
Last modified:	2020-04-15

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1 entries where SXG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	12

2D diagram of SXG

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Chemical Component Summary
Name	2,3,4,5,6-pentafluoro-N-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	2,3,5,6-tetrakis(fluoranyl)-4-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfonylamino]benzenesulfonamide
Formula	C₁₂ H₃ F₉ N₂ O₄ S₂
Molecular Weight	474.279
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[S](=O)(=O)c1c(F)c(F)c(N[S](=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
SMILES	OpenEye OEToolkits	2.0.7	c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)NS(=O)(=O)c2c(c(c(c(c2F)F)F)F)F
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1c(F)c(F)c(N[S](=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)NS(=O)(=O)c2c(c(c(c(c2F)F)F)F)F
InChI	InChI	1.03	InChI=1S/C12H3F9N2O4S2/c13-1-2(14)6(18)12(7(19)3(1)15)29(26,27)23-10-4(16)8(20)11(28(22,24)25)9(21)5(10)17/h23H,(H2,22,24,25)
InChIKey	InChI	1.03	DRVVUIBMQSZWEI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	146019251

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.