N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-6-methylpyridin-2-amine

C17H20FN3O2S — CID 56806983

IUPACN-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-6-methylpyridin-2-amine
SMILESCc1cccc(NC2CCN(S(=O)(=O)c3ccccc3F)CC2)n1
InChIInChI=1S/C17H20FN3O2S/c1-13-5-4-8-17(19-13)20-14-9-11-21(12-10-14)24(22,23)16-7-3-2-6-15(16)18/h2-8,14H,9-12H2,1H3,(H,19,20)
InChIKeyPLVABSVXGWMSQJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.79
Rot. Bonds4

About N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-6-methylpyridin-2-amine

N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-6-methylpyridin-2-amine (PubChem CID 56806983) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-6-methylpyridin-2-amine
PubChem CID56806983
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC NameN-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-6-methylpyridin-2-amine
SMILESCc1cccc(NC2CCN(S(=O)(=O)c3ccccc3F)CC2)n1
InChIInChI=1S/C17H20FN3O2S/c1-13-5-4-8-17(19-13)20-14-9-11-21(12-10-14)24(22,23)16-7-3-2-6-15(16)18/h2-8,14H,9-12H2,1H3,(H,19,20)
InChIKeyPLVABSVXGWMSQJ-UHFFFAOYSA-N
XLogP2.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-6-methylpyridin-2-amine?
The IUPAC name of N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-6-methylpyridin-2-amine (CID 56806983) is N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-6-methylpyridin-2-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-6-methylpyridin-2-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-6-methylpyridin-2-amine is Cc1cccc(NC2CCN(S(=O)(=O)c3ccccc3F)CC2)n1.
What is the InChIKey of N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-6-methylpyridin-2-amine?
The InChIKey is PLVABSVXGWMSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-13-5-4-8-17(19-13)20-14-9-11-21(12-10-14)24(22,23)16-7-3-2-6-15(16)18/h2-8,14H,9-12H2,1H3,(H,19,20).
What are the key properties of N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-6-methylpyridin-2-amine?
N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-6-methylpyridin-2-amine has a molecular weight of 349.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-6-methylpyridin-2-amine is sourced from PubChem (CID 56806983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).