4-[6-(4-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile

C23H21N3O2S — CID 58210558

IUPAC4-[6-(4-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(S(=O)(=O)N3CCC(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C23H21N3O2S/c24-17-18-9-11-21(12-10-18)22-7-4-8-23(25-22)29(27,28)26-15-13-20(14-16-26)19-5-2-1-3-6-19/h1-12,20H,13-16H2
InChIKeyFUUXUBXAMMJPER-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.19
Rot. Bonds4

About 4-[6-(4-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile

4-[6-(4-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile (PubChem CID 58210558) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 4-[6-(4-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[6-(4-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile
PubChem CID58210558
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name4-[6-(4-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(S(=O)(=O)N3CCC(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C23H21N3O2S/c24-17-18-9-11-21(12-10-18)22-7-4-8-23(25-22)29(27,28)26-15-13-20(14-16-26)19-5-2-1-3-6-19/h1-12,20H,13-16H2
InChIKeyFUUXUBXAMMJPER-UHFFFAOYSA-N
XLogP4.19
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile?
The IUPAC name of 4-[6-(4-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile (CID 58210558) is 4-[6-(4-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[6-(4-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile?
The canonical SMILES for 4-[6-(4-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile is N#Cc1ccc(-c2cccc(S(=O)(=O)N3CCC(c4ccccc4)CC3)n2)cc1.
What is the InChIKey of 4-[6-(4-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile?
The InChIKey is FUUXUBXAMMJPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c24-17-18-9-11-21(12-10-18)22-7-4-8-23(25-22)29(27,28)26-15-13-20(14-16-26)19-5-2-1-3-6-19/h1-12,20H,13-16H2.
What are the key properties of 4-[6-(4-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile?
4-[6-(4-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile has a molecular weight of 403.51 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile is sourced from PubChem (CID 58210558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).