1-(2,3,4-trifluorophenyl)sulfonylpiperidine

C11H12F3NO2S — CID 60639503

IUPAC1-(2,3,4-trifluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)c(F)c1F)N1CCCCC1
InChIInChI=1S/C11H12F3NO2S/c12-8-4-5-9(11(14)10(8)13)18(16,17)15-6-2-1-3-7-15/h4-5H,1-3,6-7H2
InChIKeyUQOFYNHRUQFLLX-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.28
Rot. Bonds2

About 1-(2,3,4-trifluorophenyl)sulfonylpiperidine

1-(2,3,4-trifluorophenyl)sulfonylpiperidine (PubChem CID 60639503) has the molecular formula C11H12F3NO2S and a molecular weight of 279.28 g/mol. Its IUPAC name is 1-(2,3,4-trifluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(2,3,4-trifluorophenyl)sulfonylpiperidine
PubChem CID60639503
Molecular FormulaC11H12F3NO2S
Molecular Weight279.28 g/mol
Exact Mass279.05
IUPAC Name1-(2,3,4-trifluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)c(F)c1F)N1CCCCC1
InChIInChI=1S/C11H12F3NO2S/c12-8-4-5-9(11(14)10(8)13)18(16,17)15-6-2-1-3-7-15/h4-5H,1-3,6-7H2
InChIKeyUQOFYNHRUQFLLX-UHFFFAOYSA-N
XLogP2.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
CID 43556384
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine
CID 60639529
(4aS,8aS)-2-(2,3,4-trifluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926596
N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine
CID 62534665
N,4-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
CID 115304763
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol
CID 79031400
1-(5-ethyl-2-fluorophenyl)sulfonylpiperidine
CID 71106524
3-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]propanoic acid
CID 122157219
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120712583
(2,5-difluorophenyl)-[1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-yl]methanone
CID 71889854
ethyl 4-(2,3,4-trifluorophenyl)sulfonylpiperazine-1-carboxylate
CID 26947786
[(1R,2R)-2-methylcyclopropyl]-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 9370192

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trifluorophenyl)sulfonylpiperidine?
The IUPAC name of 1-(2,3,4-trifluorophenyl)sulfonylpiperidine (CID 60639503) is 1-(2,3,4-trifluorophenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(2,3,4-trifluorophenyl)sulfonylpiperidine?
The canonical SMILES for 1-(2,3,4-trifluorophenyl)sulfonylpiperidine is O=S(=O)(c1ccc(F)c(F)c1F)N1CCCCC1.
What is the InChIKey of 1-(2,3,4-trifluorophenyl)sulfonylpiperidine?
The InChIKey is UQOFYNHRUQFLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2S/c12-8-4-5-9(11(14)10(8)13)18(16,17)15-6-2-1-3-7-15/h4-5H,1-3,6-7H2.
What are the key properties of 1-(2,3,4-trifluorophenyl)sulfonylpiperidine?
1-(2,3,4-trifluorophenyl)sulfonylpiperidine has a molecular weight of 279.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trifluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 60639503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).