1-[3-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]ethanone

C18H19ClN2O4S — CID 122256534

IUPAC1-[3-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCCC(Oc3ccncc3Cl)C2)c1
InChIInChI=1S/C18H19ClN2O4S/c1-13(22)14-4-2-6-16(10-14)26(23,24)21-9-3-5-15(12-21)25-18-7-8-20-11-17(18)19/h2,4,6-8,10-11,15H,3,5,9,12H2,1H3
InChIKeyNMALQWNGNQDDSD-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.17
Rot. Bonds5

About 1-[3-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]ethanone

1-[3-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]ethanone (PubChem CID 122256534) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 1-[3-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]ethanone
PubChem CID122256534
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name1-[3-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCCC(Oc3ccncc3Cl)C2)c1
InChIInChI=1S/C18H19ClN2O4S/c1-13(22)14-4-2-6-16(10-14)26(23,24)21-9-3-5-15(12-21)25-18-7-8-20-11-17(18)19/h2,4,6-8,10-11,15H,3,5,9,12H2,1H3
InChIKeyNMALQWNGNQDDSD-UHFFFAOYSA-N
XLogP3.17
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]ethanone with MolForge

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Related Compounds

4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine
CID 122256501
3-chloro-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]oxypyridine
CID 122256548
3-chloro-4-(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)oxypyridine
CID 119100292
methyl N-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenyl]carbamate
CID 119100298
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone
CID 122256358
2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide
CID 119100301
3-chloro-4-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxypyridine
CID 122243535
1-[3-[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]sulfonylphenyl]ethanone
CID 131702421
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121017487
3-(3-methoxypiperidin-1-yl)sulfonylbenzenecarbothioamide
CID 102957915
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 122256173
1-[3-[3-(triazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 121178845

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[3-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]ethanone (CID 122256534) is 1-[3-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[3-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[3-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1cccc(S(=O)(=O)N2CCCC(Oc3ccncc3Cl)C2)c1.
What is the InChIKey of 1-[3-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is NMALQWNGNQDDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-13(22)14-4-2-6-16(10-14)26(23,24)21-9-3-5-15(12-21)25-18-7-8-20-11-17(18)19/h2,4,6-8,10-11,15H,3,5,9,12H2,1H3.
What are the key properties of 1-[3-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]ethanone?
1-[3-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 394.88 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 122256534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).