2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine

C22H22N2O3S — CID 2538848

IUPAC2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine
SMILESO=S(=O)(c1ccc(Oc2ccccc2-c2ccccc2)nc1)N1CCCCC1
InChIInChI=1S/C22H22N2O3S/c25-28(26,24-15-7-2-8-16-24)19-13-14-22(23-17-19)27-21-12-6-5-11-20(21)18-9-3-1-4-10-18/h1,3-6,9-14,17H,2,7-8,15-16H2
InChIKeyWGYQSCUNHSESTP-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.72
Rot. Bonds5

About 2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine

2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine (PubChem CID 2538848) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine.

Molecular Properties

Compound Name2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine
PubChem CID2538848
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine
SMILESO=S(=O)(c1ccc(Oc2ccccc2-c2ccccc2)nc1)N1CCCCC1
InChIInChI=1S/C22H22N2O3S/c25-28(26,24-15-7-2-8-16-24)19-13-14-22(23-17-19)27-21-12-6-5-11-20(21)18-9-3-1-4-10-18/h1,3-6,9-14,17H,2,7-8,15-16H2
InChIKeyWGYQSCUNHSESTP-UHFFFAOYSA-N
XLogP4.72
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268012
2-ethoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268013
6-(2-phenylphenoxy)pyridine-3-carboxylic acid
CID 43825428
4-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
CID 24978821
2-methoxy-5-[4-(4-phenylphenyl)piperidin-1-yl]sulfonylpyridine
CID 146643179
2-(2-phenylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 26252662
4-[[6-(2-nitrophenoxy)-3-pyridinyl]sulfonyl]morpholine
CID 18199953
2-propan-2-yloxy-5-pyrrolidin-1-ylsulfonylpyridine
CID 5268219
(4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone
CID 2539896
5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)pyridine
CID 75448158
1-(4-phenoxyphenyl)sulfonylpiperidine
CID 779936
1-phenyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)hydrazine
CID 5267961

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine?
The IUPAC name of 2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine (CID 2538848) is 2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine.
What is the SMILES notation for 2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine?
The canonical SMILES for 2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine is O=S(=O)(c1ccc(Oc2ccccc2-c2ccccc2)nc1)N1CCCCC1.
What is the InChIKey of 2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine?
The InChIKey is WGYQSCUNHSESTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c25-28(26,24-15-7-2-8-16-24)19-13-14-22(23-17-19)27-21-12-6-5-11-20(21)18-9-3-1-4-10-18/h1,3-6,9-14,17H,2,7-8,15-16H2.
What are the key properties of 2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine?
2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine has a molecular weight of 394.50 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine is sourced from PubChem (CID 2538848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).