Z5K

N-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide

Created:	2012-08-24
Last modified:	2014-09-05

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1 entries where Z5K is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	6

2D diagram of Z5K

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Chemical Component Summary
Name	N-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	N-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
Formula	C₁₃ H₁₉ F₃ N₂ O₂ S
Molecular Weight	324.362
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(NCCN(CC)CC)c1cc(ccc1)C(F)(F)F
SMILES	CACTVS	3.385	CCN(CC)CCN[S](=O)(=O)c1cccc(c1)C(F)(F)F
SMILES	OpenEye OEToolkits	1.9.2	CCN(CC)CCNS(=O)(=O)c1cccc(c1)C(F)(F)F
Canonical SMILES	CACTVS	3.385	CCN(CC)CCN[S](=O)(=O)c1cccc(c1)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCN(CC)CCNS(=O)(=O)c1cccc(c1)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C13H19F3N2O2S/c1-3-18(4-2)9-8-17-21(19,20)12-7-5-6-11(10-12)13(14,15)16/h5-7,10,17H,3-4,8-9H2,1-2H3
InChIKey	InChI	1.03	LCVUXYUASXEIMC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71677775
ChEMBL	CHEMBL3087815

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.