T1Y

1-{4-[(3-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one

Created:	2020-03-16
Last modified:	2024-09-27

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1 entries where T1Y is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	6

2D diagram of T1Y

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Chemical Component Summary
Name	1-{4-[(3-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one
Systematic Name (OpenEye OEToolkits)	1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
Formula	C₁₂ H₁₅ F N₂ O₃ S
Molecular Weight	286.323
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N2(CCN(S(c1cccc(c1)F)(=O)=O)CC2)C(=O)C
SMILES	CACTVS	3.385	CC(=O)N1CCN(CC1)[S](=O)(=O)c2cccc(F)c2
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N1CCN(CC1)S(=O)(=O)c2cccc(c2)F
Canonical SMILES	CACTVS	3.385	CC(=O)N1CCN(CC1)[S](=O)(=O)c2cccc(F)c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N1CCN(CC1)S(=O)(=O)c2cccc(c2)F
InChI	InChI	1.03	InChI=1S/C12H15FN2O3S/c1-10(16)14-5-7-15(8-6-14)19(17,18)12-4-2-3-11(13)9-12/h2-4,9H,5-8H2,1H3
InChIKey	InChI	1.03	XHJTYTNVOUGFFA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	3695997

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