A1BDK

1-(4-fluorobenzene-1-sulfonyl)piperazine

Created:	2024-10-15
Last modified:	2024-10-30

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1 entries where A1BDK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	6

2D diagram of A1BDK

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Chemical Component Summary
Name	1-(4-fluorobenzene-1-sulfonyl)piperazine
Systematic Name (OpenEye OEToolkits)	1-(4-fluorophenyl)sulfonylpiperazine
Formula	C₁₀ H₁₃ F N₂ O₂ S
Molecular Weight	244.286
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=S(=O)(c1ccc(F)cc1)N1CCNCC1
SMILES	CACTVS	3.385	Fc1ccc(cc1)[S](=O)(=O)N2CCNCC2
SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(ccc1F)S(=O)(=O)N2CCNCC2
Canonical SMILES	CACTVS	3.385	Fc1ccc(cc1)[S](=O)(=O)N2CCNCC2
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(ccc1F)S(=O)(=O)N2CCNCC2
InChI	InChI	1.06	InChI=1S/C10H13FN2O2S/c11-9-1-3-10(4-2-9)16(14,15)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKey	InChI	1.06	KKDHOKJGLSITHN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2063342
ChEMBL	CHEMBL1940806

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.