2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile

C17H17N3O3S — CID 24978833

IUPAC2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
SMILESN#Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C17H17N3O3S/c18-12-14-6-2-3-7-16(14)23-17-9-8-15(13-19-17)24(21,22)20-10-4-1-5-11-20/h2-3,6-9,13H,1,4-5,10-11H2
InChIKeyMXBOMRBTMIYFPL-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.92
Rot. Bonds4

About 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile

2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile (PubChem CID 24978833) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
PubChem CID24978833
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
SMILESN#Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C17H17N3O3S/c18-12-14-6-2-3-7-16(14)23-17-9-8-15(13-19-17)24(21,22)20-10-4-1-5-11-20/h2-3,6-9,13H,1,4-5,10-11H2
InChIKeyMXBOMRBTMIYFPL-UHFFFAOYSA-N
XLogP2.92
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile?
The IUPAC name of 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile (CID 24978833) is 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile is N#Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cn1.
What is the InChIKey of 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile?
The InChIKey is MXBOMRBTMIYFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c18-12-14-6-2-3-7-16(14)23-17-9-8-15(13-19-17)24(21,22)20-10-4-1-5-11-20/h2-3,6-9,13H,1,4-5,10-11H2.
What are the key properties of 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile?
2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile has a molecular weight of 343.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 24978833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).