IQK

N,N'-naphthalene-1,4-diylbis(4-methoxybenzenesulfonamide)

Created:	2013-01-15
Last modified:	2013-05-15

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1 entries where IQK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	0
Bond Count	59
Aromatic Bond Count	23

2D diagram of IQK

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Chemical Component Summary
Name	N,N'-naphthalene-1,4-diylbis(4-methoxybenzenesulfonamide)
Systematic Name (OpenEye OEToolkits)	4-methoxy-N-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
Formula	C₂₄ H₂₂ N₂ O₆ S₂
Molecular Weight	498.571
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(Nc3c1ccccc1c(NS(=O)(=O)c2ccc(OC)cc2)cc3)c4ccc(OC)cc4
SMILES	CACTVS	3.370	COc1ccc(cc1)[S](=O)(=O)Nc2ccc(N[S](=O)(=O)c3ccc(OC)cc3)c4ccccc24
SMILES	OpenEye OEToolkits	1.7.6	COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OC
Canonical SMILES	CACTVS	3.370	COc1ccc(cc1)[S](=O)(=O)Nc2ccc(N[S](=O)(=O)c3ccc(OC)cc3)c4ccccc24
Canonical SMILES	OpenEye OEToolkits	1.7.6	COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OC
InChI	InChI	1.03	InChI=1S/C24H22N2O6S2/c1-31-17-7-11-19(12-8-17)33(27,28)25-23-15-16-24(22-6-4-3-5-21(22)23)26-34(29,30)20-13-9-18(32-2)10-14-20/h3-16,25-26H,1-2H3
InChIKey	InChI	1.03	XLLVCULLOGKYOO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2402207
PubChem	1073725
ChEMBL	CHEMBL2402207

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.