O6Q

5-[(3,4-dichlorophenyl)methyl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione

Created:	2023-05-05
Last modified:	2023-06-14

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1 entries where O6Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	6

2D diagram of O6Q

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Chemical Component Summary
Name	5-[(3,4-dichlorophenyl)methyl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione
Systematic Name (OpenEye OEToolkits)	5-[(3,4-dichlorophenyl)methyl]-1,1-bis(oxidanylidene)-1,2,5-thiadiazolidin-3-one
Formula	C₉ H₈ Cl₂ N₂ O₃ S
Molecular Weight	295.142
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)N1
SMILES	CACTVS	3.385	Clc1ccc(CN2CC(=O)N[S]2(=O)=O)cc1Cl
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1CN2CC(=O)NS2(=O)=O)Cl)Cl
Canonical SMILES	CACTVS	3.385	Clc1ccc(CN2CC(=O)N[S]2(=O)=O)cc1Cl
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1CN2CC(=O)NS2(=O)=O)Cl)Cl
InChI	InChI	1.06	InChI=1S/C9H8Cl2N2O3S/c10-7-2-1-6(3-8(7)11)4-13-5-9(14)12-17(13,15)16/h1-3H,4-5H2,(H,12,14)
InChIKey	InChI	1.06	YGRAWJOPHDOUHR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	168300847

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.