4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile

C17H17N3O3S — CID 24978821

IUPAC4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
SMILESN#Cc1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1
InChIInChI=1S/C17H17N3O3S/c18-12-14-4-6-15(7-5-14)23-17-9-8-16(13-19-17)24(21,22)20-10-2-1-3-11-20/h4-9,13H,1-3,10-11H2
InChIKeyJJDRPQCUVZEOTG-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.92
Rot. Bonds4

About 4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile

4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile (PubChem CID 24978821) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
PubChem CID24978821
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
SMILESN#Cc1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1
InChIInChI=1S/C17H17N3O3S/c18-12-14-4-6-15(7-5-14)23-17-9-8-16(13-19-17)24(21,22)20-10-2-1-3-11-20/h4-9,13H,1-3,10-11H2
InChIKeyJJDRPQCUVZEOTG-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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Related Compounds

4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
CID 24979086
(4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone
CID 2539896
2-methoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268012
ethyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]benzoate
CID 25342701
2-ethoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268013
(4-cyanophenyl) 4-(azepan-1-ylsulfonyl)benzoate
CID 2679350
2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine
CID 2538848
2-propan-2-yloxy-5-pyrrolidin-1-ylsulfonylpyridine
CID 5268219
5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)pyridine
CID 75448158
4-[4-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-1,4-diazepan-1-yl]benzonitrile
CID 55703622
[4-(4-cyanophenyl)phenyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 4009983
5-thiomorpholin-4-ylsulfonylpyridine-2-carbonitrile
CID 115602649

Frequently Asked Questions

What is the IUPAC name of 4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile?
The IUPAC name of 4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile (CID 24978821) is 4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile is N#Cc1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1.
What is the InChIKey of 4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile?
The InChIKey is JJDRPQCUVZEOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c18-12-14-4-6-15(7-5-14)23-17-9-8-16(13-19-17)24(21,22)20-10-2-1-3-11-20/h4-9,13H,1-3,10-11H2.
What are the key properties of 4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile?
4-[(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 4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 24978821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).