V50

4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide

Created:	2012-11-06
Last modified:	2013-04-10

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5 entries where V50 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 V50

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Chemical Component Summary
Name	4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide
Systematic Name (OpenEye OEToolkits)	4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
Formula	C₁₂ H₉ F₄ N₃ O₂ S₂
Molecular Weight	367.342
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(N)c2c(F)c(F)c(Sc1nc(cc(n1)C)C)c(F)c2F
SMILES	CACTVS	3.370	Cc1cc(C)nc(Sc2c(F)c(F)c(c(F)c2F)[S](N)(=O)=O)n1
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(n1)Sc2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C
Canonical SMILES	CACTVS	3.370	Cc1cc(C)nc(Sc2c(F)c(F)c(c(F)c2F)[S](N)(=O)=O)n1
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(n1)Sc2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C
InChI	InChI	1.03	InChI=1S/C12H9F4N3O2S2/c1-4-3-5(2)19-12(18-4)22-10-6(13)8(15)11(23(17,20)21)9(16)7(10)14/h3H,1-2H3,(H2,17,20,21)
InChIKey	InChI	1.03	PKQIZTGHFBCYEN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2333410
PubChem	71299336
ChEMBL	CHEMBL2333410

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.