1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-amine

C11H14ClFN2O2S — CID 43556382

IUPAC1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C11H14ClFN2O2S/c12-8-1-2-11(10(13)7-8)18(16,17)15-5-3-9(14)4-6-15/h1-2,7,9H,3-6,14H2
InChIKeyOIIACZIRRIXEBP-UHFFFAOYSA-N
MW292.76 g/mol
LogP1.59
Rot. Bonds2

About 1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-amine

1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-amine (PubChem CID 43556382) has the molecular formula C11H14ClFN2O2S and a molecular weight of 292.76 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-amine
PubChem CID43556382
Molecular FormulaC11H14ClFN2O2S
Molecular Weight292.76 g/mol
Exact Mass292.04
IUPAC Name1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C11H14ClFN2O2S/c12-8-1-2-11(10(13)7-8)18(16,17)15-5-3-9(14)4-6-15/h1-2,7,9H,3-6,14H2
InChIKeyOIIACZIRRIXEBP-UHFFFAOYSA-N
XLogP1.59
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-amine (CID 43556382) is 1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-amine is NC1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-amine?
The InChIKey is OIIACZIRRIXEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2S/c12-8-1-2-11(10(13)7-8)18(16,17)15-5-3-9(14)4-6-15/h1-2,7,9H,3-6,14H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-amine?
1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-amine has a molecular weight of 292.76 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 43556382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).