3-fluoro-1-(4-methylphenyl)sulfonylpiperidine

C12H16FNO2S — CID 102167204

IUPAC3-fluoro-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCCC(F)C2)cc1
InChIInChI=1S/C12H16FNO2S/c1-10-4-6-12(7-5-10)17(15,16)14-8-2-3-11(13)9-14/h4-7,11H,2-3,8-9H2,1H3
InChIKeyXFUBIWLSBKMOGT-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.12
Rot. Bonds2

About 3-fluoro-1-(4-methylphenyl)sulfonylpiperidine

3-fluoro-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 102167204) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-fluoro-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name3-fluoro-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID102167204
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC Name3-fluoro-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCCC(F)C2)cc1
InChIInChI=1S/C12H16FNO2S/c1-10-4-6-12(7-5-10)17(15,16)14-8-2-3-11(13)9-14/h4-7,11H,2-3,8-9H2,1H3
InChIKeyXFUBIWLSBKMOGT-UHFFFAOYSA-N
XLogP2.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
3-bromo-1-(4-methylphenyl)sulfonylpiperidine
CID 80676007
(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
CID 134848114
1-(4-methylphenyl)sulfonylpiperidine-3-carbaldehyde
CID 63846066
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 55257807
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
3-tert-butyl-1-(4-methylphenyl)sulfonylazepane
CID 171769023
3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine
CID 67222791
(3S)-3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine
CID 58293231

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 3-fluoro-1-(4-methylphenyl)sulfonylpiperidine (CID 102167204) is 3-fluoro-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 3-fluoro-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 3-fluoro-1-(4-methylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCCC(F)C2)cc1.
What is the InChIKey of 3-fluoro-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is XFUBIWLSBKMOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-10-4-6-12(7-5-10)17(15,16)14-8-2-3-11(13)9-14/h4-7,11H,2-3,8-9H2,1H3.
What are the key properties of 3-fluoro-1-(4-methylphenyl)sulfonylpiperidine?
3-fluoro-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 257.33 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 102167204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).