2-phenyl-6-(4-pyridin-4-ylpiperidin-1-yl)sulfonylpyridine

C21H21N3O2S — CID 58211074

IUPAC2-phenyl-6-(4-pyridin-4-ylpiperidin-1-yl)sulfonylpyridine
SMILESO=S(=O)(c1cccc(-c2ccccc2)n1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C21H21N3O2S/c25-27(26,21-8-4-7-20(23-21)19-5-2-1-3-6-19)24-15-11-18(12-16-24)17-9-13-22-14-10-17/h1-10,13-14,18H,11-12,15-16H2
InChIKeyOUYHTPSFUDTANF-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.71
Rot. Bonds4

About 2-phenyl-6-(4-pyridin-4-ylpiperidin-1-yl)sulfonylpyridine

2-phenyl-6-(4-pyridin-4-ylpiperidin-1-yl)sulfonylpyridine (PubChem CID 58211074) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-phenyl-6-(4-pyridin-4-ylpiperidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name2-phenyl-6-(4-pyridin-4-ylpiperidin-1-yl)sulfonylpyridine
PubChem CID58211074
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name2-phenyl-6-(4-pyridin-4-ylpiperidin-1-yl)sulfonylpyridine
SMILESO=S(=O)(c1cccc(-c2ccccc2)n1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C21H21N3O2S/c25-27(26,21-8-4-7-20(23-21)19-5-2-1-3-6-19)24-15-11-18(12-16-24)17-9-13-22-14-10-17/h1-10,13-14,18H,11-12,15-16H2
InChIKeyOUYHTPSFUDTANF-UHFFFAOYSA-N
XLogP3.71
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(4-pyridin-4-ylpiperidin-1-yl)sulfonylpyridine?
The IUPAC name of 2-phenyl-6-(4-pyridin-4-ylpiperidin-1-yl)sulfonylpyridine (CID 58211074) is 2-phenyl-6-(4-pyridin-4-ylpiperidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 2-phenyl-6-(4-pyridin-4-ylpiperidin-1-yl)sulfonylpyridine?
The canonical SMILES for 2-phenyl-6-(4-pyridin-4-ylpiperidin-1-yl)sulfonylpyridine is O=S(=O)(c1cccc(-c2ccccc2)n1)N1CCC(c2ccncc2)CC1.
What is the InChIKey of 2-phenyl-6-(4-pyridin-4-ylpiperidin-1-yl)sulfonylpyridine?
The InChIKey is OUYHTPSFUDTANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c25-27(26,21-8-4-7-20(23-21)19-5-2-1-3-6-19)24-15-11-18(12-16-24)17-9-13-22-14-10-17/h1-10,13-14,18H,11-12,15-16H2.
What are the key properties of 2-phenyl-6-(4-pyridin-4-ylpiperidin-1-yl)sulfonylpyridine?
2-phenyl-6-(4-pyridin-4-ylpiperidin-1-yl)sulfonylpyridine has a molecular weight of 379.49 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(4-pyridin-4-ylpiperidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 58211074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).