V13

2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide

Created:	2012-11-08
Last modified:	2013-04-10

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5 entries where V13 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	6

2D diagram of V13

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Chemical Component Summary
Name	2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfonyl)benzenesulfonamide
Formula	C₈ H₇ F₄ N O₅ S₂
Molecular Weight	337.268
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1c(F)c(c(F)c(F)c1S(=O)(=O)N)S(=O)(=O)CCO
SMILES	CACTVS	3.370	N[S](=O)(=O)c1c(F)c(F)c(c(F)c1F)[S](=O)(=O)CCO
SMILES	OpenEye OEToolkits	1.7.6	C(CS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F)O
Canonical SMILES	CACTVS	3.370	N[S](=O)(=O)c1c(F)c(F)c(c(F)c1F)[S](=O)(=O)CCO
Canonical SMILES	OpenEye OEToolkits	1.7.6	C(CS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F)O
InChI	InChI	1.03	InChI=1S/C8H7F4NO5S2/c9-3-5(11)8(20(13,17)18)6(12)4(10)7(3)19(15,16)2-1-14/h14H,1-2H2,(H2,13,17,18)
InChIKey	InChI	1.03	WZGGLNWNBUCLIP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2333417
PubChem	71299337
ChEMBL	CHEMBL2333417

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