Q8S

5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide

Created:	2019-10-03
Last modified:	2020-04-15

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1 entries where Q8S is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	11

2D diagram of Q8S

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Chemical Component Summary
Name	5-bromo-3-chloro-N-(1-cyclopentyl-2-methyl-1H-imidazol-4-yl)-2-hydroxybenzene-1-sulfonamide
Systematic Name (OpenEye OEToolkits)	5-bromanyl-3-chloranyl-~{N}-(1-cyclopentyl-2-methyl-imidazol-4-yl)-2-oxidanyl-benzenesulfonamide
Formula	C₁₅ H₁₇ Br Cl N₃ O₃ S
Molecular Weight	434.736
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1CC(CC1)n3cc(NS(c2cc(cc(c2O)Cl)Br)(=O)=O)nc3C
SMILES	CACTVS	3.385	Cc1nc(N[S](=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C3CCCC3
SMILES	OpenEye OEToolkits	2.0.7	Cc1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br
Canonical SMILES	CACTVS	3.385	Cc1nc(N[S](=O)(=O)c2cc(Br)cc(Cl)c2O)cn1C3CCCC3
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br
InChI	InChI	1.03	InChI=1S/C15H17BrClN3O3S/c1-9-18-14(8-20(9)11-4-2-3-5-11)19-24(22,23)13-7-10(16)6-12(17)15(13)21/h6-8,11,19,21H,2-5H2,1H3
InChIKey	InChI	1.03	WOKCPJTYIUMFPY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	146019258

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.