1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine

C13H18ClFN2O2S — CID 63254905

IUPAC1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C13H18ClFN2O2S/c1-9(16)12-4-2-3-7-17(12)20(18,19)13-6-5-10(15)8-11(13)14/h5-6,8-9,12H,2-4,7,16H2,1H3
InChIKeyGQSHTBLBNLQMOM-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.37
Rot. Bonds3

About 1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine

1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine (PubChem CID 63254905) has the molecular formula C13H18ClFN2O2S and a molecular weight of 320.82 g/mol. Its IUPAC name is 1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine
PubChem CID63254905
Molecular FormulaC13H18ClFN2O2S
Molecular Weight320.82 g/mol
Exact Mass320.08
IUPAC Name1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C13H18ClFN2O2S/c1-9(16)12-4-2-3-7-17(12)20(18,19)13-6-5-10(15)8-11(13)14/h5-6,8-9,12H,2-4,7,16H2,1H3
InChIKeyGQSHTBLBNLQMOM-UHFFFAOYSA-N
XLogP2.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine (CID 63254905) is 1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine is CC(N)C1CCCCN1S(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine?
The InChIKey is GQSHTBLBNLQMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2S/c1-9(16)12-4-2-3-7-17(12)20(18,19)13-6-5-10(15)8-11(13)14/h5-6,8-9,12H,2-4,7,16H2,1H3.
What are the key properties of 1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine?
1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine has a molecular weight of 320.82 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine is sourced from PubChem (CID 63254905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).