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

C23H21N3O2S — CID 58211270

IUPAC4-[6-(2-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(S(=O)(=O)N3CCCCC3c3ccccc3)n2)cc1
InChIInChI=1S/C23H21N3O2S/c24-17-18-12-14-19(15-13-18)21-9-6-11-23(25-21)29(27,28)26-16-5-4-10-22(26)20-7-2-1-3-8-20/h1-3,6-9,11-15,22H,4-5,10,16H2
InChIKeyBGPRJULYYMDQKZ-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.54
Rot. Bonds4

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

4-[6-(2-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile (PubChem CID 58211270) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 4-[6-(2-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[6-(2-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile
PubChem CID58211270
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name4-[6-(2-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(S(=O)(=O)N3CCCCC3c3ccccc3)n2)cc1
InChIInChI=1S/C23H21N3O2S/c24-17-18-12-14-19(15-13-18)21-9-6-11-23(25-21)29(27,28)26-16-5-4-10-22(26)20-7-2-1-3-8-20/h1-3,6-9,11-15,22H,4-5,10,16H2
InChIKeyBGPRJULYYMDQKZ-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile?
The IUPAC name of 4-[6-(2-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile (CID 58211270) is 4-[6-(2-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[6-(2-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile?
The canonical SMILES for 4-[6-(2-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile is N#Cc1ccc(-c2cccc(S(=O)(=O)N3CCCCC3c3ccccc3)n2)cc1.
What is the InChIKey of 4-[6-(2-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile?
The InChIKey is BGPRJULYYMDQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c24-17-18-12-14-19(15-13-18)21-9-6-11-23(25-21)29(27,28)26-16-5-4-10-22(26)20-7-2-1-3-8-20/h1-3,6-9,11-15,22H,4-5,10,16H2.
What are the key properties of 4-[6-(2-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile?
4-[6-(2-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile has a molecular weight of 403.51 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile is sourced from PubChem (CID 58211270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).