4-[4-(2,4-difluorophenyl)sulfonylpiperidin-1-yl]-6-methylpyridin-3-amine

C17H19F2N3O2S — CID 151889069

IUPAC4-[4-(2,4-difluorophenyl)sulfonylpiperidin-1-yl]-6-methylpyridin-3-amine
SMILESCc1cc(N2CCC(S(=O)(=O)c3ccc(F)cc3F)CC2)c(N)cn1
InChIInChI=1S/C17H19F2N3O2S/c1-11-8-16(15(20)10-21-11)22-6-4-13(5-7-22)25(23,24)17-3-2-12(18)9-14(17)19/h2-3,8-10,13H,4-7,20H2,1H3
InChIKeySQIRQTUXYZKSNZ-UHFFFAOYSA-N
MW367.42 g/mol
LogP2.69
Rot. Bonds3

About 4-[4-(2,4-difluorophenyl)sulfonylpiperidin-1-yl]-6-methylpyridin-3-amine

4-[4-(2,4-difluorophenyl)sulfonylpiperidin-1-yl]-6-methylpyridin-3-amine (PubChem CID 151889069) has the molecular formula C17H19F2N3O2S and a molecular weight of 367.42 g/mol. Its IUPAC name is 4-[4-(2,4-difluorophenyl)sulfonylpiperidin-1-yl]-6-methylpyridin-3-amine.

Molecular Properties

Compound Name4-[4-(2,4-difluorophenyl)sulfonylpiperidin-1-yl]-6-methylpyridin-3-amine
PubChem CID151889069
Molecular FormulaC17H19F2N3O2S
Molecular Weight367.42 g/mol
Exact Mass367.12
IUPAC Name4-[4-(2,4-difluorophenyl)sulfonylpiperidin-1-yl]-6-methylpyridin-3-amine
SMILESCc1cc(N2CCC(S(=O)(=O)c3ccc(F)cc3F)CC2)c(N)cn1
InChIInChI=1S/C17H19F2N3O2S/c1-11-8-16(15(20)10-21-11)22-6-4-13(5-7-22)25(23,24)17-3-2-12(18)9-14(17)19/h2-3,8-10,13H,4-7,20H2,1H3
InChIKeySQIRQTUXYZKSNZ-UHFFFAOYSA-N
XLogP2.69
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(2,4-difluorophenyl)sulfonylpiperidin-1-yl]-6-methylpyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-difluorophenyl)sulfonylpiperidin-1-yl]-6-methylpyridin-3-amine?
The IUPAC name of 4-[4-(2,4-difluorophenyl)sulfonylpiperidin-1-yl]-6-methylpyridin-3-amine (CID 151889069) is 4-[4-(2,4-difluorophenyl)sulfonylpiperidin-1-yl]-6-methylpyridin-3-amine.
What is the SMILES notation for 4-[4-(2,4-difluorophenyl)sulfonylpiperidin-1-yl]-6-methylpyridin-3-amine?
The canonical SMILES for 4-[4-(2,4-difluorophenyl)sulfonylpiperidin-1-yl]-6-methylpyridin-3-amine is Cc1cc(N2CCC(S(=O)(=O)c3ccc(F)cc3F)CC2)c(N)cn1.
What is the InChIKey of 4-[4-(2,4-difluorophenyl)sulfonylpiperidin-1-yl]-6-methylpyridin-3-amine?
The InChIKey is SQIRQTUXYZKSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2S/c1-11-8-16(15(20)10-21-11)22-6-4-13(5-7-22)25(23,24)17-3-2-12(18)9-14(17)19/h2-3,8-10,13H,4-7,20H2,1H3.
What are the key properties of 4-[4-(2,4-difluorophenyl)sulfonylpiperidin-1-yl]-6-methylpyridin-3-amine?
4-[4-(2,4-difluorophenyl)sulfonylpiperidin-1-yl]-6-methylpyridin-3-amine has a molecular weight of 367.42 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-difluorophenyl)sulfonylpiperidin-1-yl]-6-methylpyridin-3-amine is sourced from PubChem (CID 151889069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).