5-[4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N,N-dimethylpyridin-2-amine

C24H26FN3O3S — CID 24732920

IUPAC5-[4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2ccc(OC3CCN(S(=O)(=O)c4ccccc4F)CC3)cc2)cn1
InChIInChI=1S/C24H26FN3O3S/c1-27(2)24-12-9-19(17-26-24)18-7-10-20(11-8-18)31-21-13-15-28(16-14-21)32(29,30)23-6-4-3-5-22(23)25/h3-12,17,21H,13-16H2,1-2H3
InChIKeyFYAVMZKVYHMZPL-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.19
Rot. Bonds6

About 5-[4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N,N-dimethylpyridin-2-amine

5-[4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N,N-dimethylpyridin-2-amine (PubChem CID 24732920) has the molecular formula C24H26FN3O3S and a molecular weight of 455.56 g/mol. Its IUPAC name is 5-[4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N,N-dimethylpyridin-2-amine
PubChem CID24732920
Molecular FormulaC24H26FN3O3S
Molecular Weight455.56 g/mol
Exact Mass455.17
IUPAC Name5-[4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2ccc(OC3CCN(S(=O)(=O)c4ccccc4F)CC3)cc2)cn1
InChIInChI=1S/C24H26FN3O3S/c1-27(2)24-12-9-19(17-26-24)18-7-10-20(11-8-18)31-21-13-15-28(16-14-21)32(29,30)23-6-4-3-5-22(23)25/h3-12,17,21H,13-16H2,1-2H3
InChIKeyFYAVMZKVYHMZPL-UHFFFAOYSA-N
XLogP4.19
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N,N-dimethylpyridin-2-amine (CID 24732920) is 5-[4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(-c2ccc(OC3CCN(S(=O)(=O)c4ccccc4F)CC3)cc2)cn1.
What is the InChIKey of 5-[4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is FYAVMZKVYHMZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3S/c1-27(2)24-12-9-19(17-26-24)18-7-10-20(11-8-18)31-21-13-15-28(16-14-21)32(29,30)23-6-4-3-5-22(23)25/h3-12,17,21H,13-16H2,1-2H3.
What are the key properties of 5-[4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N,N-dimethylpyridin-2-amine?
5-[4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 455.56 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxyphenyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 24732920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).