1-(5-ethyl-2-fluorophenyl)sulfonylpiperidine

C13H18FNO2S — CID 71106524

IUPAC1-(5-ethyl-2-fluorophenyl)sulfonylpiperidine
SMILESCCc1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C13H18FNO2S/c1-2-11-6-7-12(14)13(10-11)18(16,17)15-8-4-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3
InChIKeyVSOZNRMYYTZZQU-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.56
Rot. Bonds3

About 1-(5-ethyl-2-fluorophenyl)sulfonylpiperidine

1-(5-ethyl-2-fluorophenyl)sulfonylpiperidine (PubChem CID 71106524) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(5-ethyl-2-fluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(5-ethyl-2-fluorophenyl)sulfonylpiperidine
PubChem CID71106524
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name1-(5-ethyl-2-fluorophenyl)sulfonylpiperidine
SMILESCCc1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C13H18FNO2S/c1-2-11-6-7-12(14)13(10-11)18(16,17)15-8-4-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3
InChIKeyVSOZNRMYYTZZQU-UHFFFAOYSA-N
XLogP2.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylphenyl)methyl]-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 34890345
1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 6457843
N-[1-(4-ethylphenyl)ethyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 16548347
[2-(4-ethylanilino)-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 2419203
1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 10566988
1-(2,3,4-trifluorophenyl)sulfonylpiperidine
CID 60639503
N-[1-(ethylcarbamoyl)cyclohexyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55967795
1-(5-chloro-2-fluorophenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 110819028
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine
CID 60639529
N-[(4-chlorophenyl)methyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26533312
4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 26619396
1-(2,4-difluorophenyl)sulfonyl-4-(4-ethylphenyl)sulfonylpiperazine
CID 19684620

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-fluorophenyl)sulfonylpiperidine?
The IUPAC name of 1-(5-ethyl-2-fluorophenyl)sulfonylpiperidine (CID 71106524) is 1-(5-ethyl-2-fluorophenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(5-ethyl-2-fluorophenyl)sulfonylpiperidine?
The canonical SMILES for 1-(5-ethyl-2-fluorophenyl)sulfonylpiperidine is CCc1ccc(F)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 1-(5-ethyl-2-fluorophenyl)sulfonylpiperidine?
The InChIKey is VSOZNRMYYTZZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-2-11-6-7-12(14)13(10-11)18(16,17)15-8-4-3-5-9-15/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of 1-(5-ethyl-2-fluorophenyl)sulfonylpiperidine?
1-(5-ethyl-2-fluorophenyl)sulfonylpiperidine has a molecular weight of 271.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-fluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 71106524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).