OK0

(2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide

Created:	2022-05-09
Last modified:	2023-05-24

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	17

2D diagram of OK0

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Chemical Component Summary
Name	(2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide
Systematic Name (OpenEye OEToolkits)	3-(4-piperidin-4-ylphenyl)-2-(1~{H}-1,2,3,4-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
Formula	C₁₉ H₁₉ F₃ N₆ O₂ S
Molecular Weight	452.453
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)c1ccc(c(c1S(N)(=O)=O)c1nnn[NH]1)c1ccc(cc1)C1CCNCC1
SMILES	CACTVS	3.385	N[S](=O)(=O)c1c(ccc(c2ccc(cc2)C3CCNCC3)c1c4[nH]nnn4)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2ccc(c(c2c3[nH]nnn3)S(=O)(=O)N)C(F)(F)F)C4CCNCC4
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1c(ccc(c2ccc(cc2)C3CCNCC3)c1c4[nH]nnn4)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2ccc(c(c2c3[nH]nnn3)S(=O)(=O)N)C(F)(F)F)C4CCNCC4
InChI	InChI	1.03	InChI=1S/C19H19F3N6O2S/c20-19(21,22)15-6-5-14(16(17(15)31(23,29)30)18-25-27-28-26-18)13-3-1-11(2-4-13)12-7-9-24-10-8-12/h1-6,12,24H,7-10H2,(H2,23,29,30)(H,25,26,27,28)
InChIKey	InChI	1.03	IVCVEUVKOPZGEI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	118266421

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.