1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine

C11H12F3NO2S — CID 142458057

IUPAC1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCCC(F)C1
InChIInChI=1S/C11H12F3NO2S/c12-8-3-4-11(10(14)6-8)18(16,17)15-5-1-2-9(13)7-15/h3-4,6,9H,1-2,5,7H2
InChIKeySUNXPCHZGGXSMA-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.09
Rot. Bonds2

About 1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine

1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine (PubChem CID 142458057) has the molecular formula C11H12F3NO2S and a molecular weight of 279.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine
PubChem CID142458057
Molecular FormulaC11H12F3NO2S
Molecular Weight279.28 g/mol
Exact Mass279.05
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCCC(F)C1
InChIInChI=1S/C11H12F3NO2S/c12-8-3-4-11(10(14)6-8)18(16,17)15-5-1-2-9(13)7-15/h3-4,6,9H,1-2,5,7H2
InChIKeySUNXPCHZGGXSMA-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 63879108
3-(2,4-difluorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 115314201
3-(chloromethyl)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
CID 63400627
2-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115744856
(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperidine
CID 93302829
(3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 2409021
(3S)-1-(2-bromo-4-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 94475946
1-(2-bromo-4-fluorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 61060723
3-(cyclopropylmethoxy)-1-(2,4-difluorophenyl)sulfonylpyrrolidine
CID 121197755
1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119979918
(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
CID 93274616
1-(2,4-difluorophenyl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
CID 77038290

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine (CID 142458057) is 1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine is O=S(=O)(c1ccc(F)cc1F)N1CCCC(F)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine?
The InChIKey is SUNXPCHZGGXSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2S/c12-8-3-4-11(10(14)6-8)18(16,17)15-5-1-2-9(13)7-15/h3-4,6,9H,1-2,5,7H2.
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine?
1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine has a molecular weight of 279.28 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-3-fluoropiperidine is sourced from PubChem (CID 142458057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).