WQT

2-chloranyl-1-[8-(4-iodophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]ethanone

Created:	2023-10-10
Last modified:	2025-03-19

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3 entries where WQT is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	6

2D diagram of WQT

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Chemical Component Summary
Name	2-chloranyl-1-[8-(4-iodophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]ethanone
Systematic Name (OpenEye OEToolkits)	2-chloranyl-1-[8-(4-iodophenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]ethanone
Formula	C₁₄ H₁₆ Cl I N₂ O₄ S
Molecular Weight	470.71
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	ClCC(=O)N1CC2(C1)CN(CCO2)[S](=O)(=O)c3ccc(I)cc3
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1S(=O)(=O)N2CCOC3(C2)CN(C3)C(=O)CCl)I
Canonical SMILES	CACTVS	3.385	ClCC(=O)N1CC2(C1)CN(CCO2)[S](=O)(=O)c3ccc(I)cc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1S(=O)(=O)N2CCOC3(C2)CN(C3)C(=O)CCl)I
InChI	InChI	1.06	InChI=1S/C14H16ClIN2O4S/c15-7-13(19)17-8-14(9-17)10-18(5-6-22-14)23(20,21)12-3-1-11(16)2-4-12/h1-4H,5-10H2
InChIKey	InChI	1.06	GCSBMYJFFNJXJZ-UHFFFAOYSA-N

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.