4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine

C16H16BrClN2O3S — CID 122256501

IUPAC4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C16H16BrClN2O3S/c17-12-3-5-14(6-4-12)24(21,22)20-9-1-2-13(11-20)23-16-7-8-19-10-15(16)18/h3-8,10,13H,1-2,9,11H2
InChIKeyJVNNOXYWTAEFIS-UHFFFAOYSA-N
MW431.74 g/mol
LogP3.73
Rot. Bonds4

About 4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine

4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine (PubChem CID 122256501) has the molecular formula C16H16BrClN2O3S and a molecular weight of 431.74 g/mol. Its IUPAC name is 4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine.

Molecular Properties

Compound Name4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine
PubChem CID122256501
Molecular FormulaC16H16BrClN2O3S
Molecular Weight431.74 g/mol
Exact Mass429.98
IUPAC Name4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C16H16BrClN2O3S/c17-12-3-5-14(6-4-12)24(21,22)20-9-1-2-13(11-20)23-16-7-8-19-10-15(16)18/h3-8,10,13H,1-2,9,11H2
InChIKeyJVNNOXYWTAEFIS-UHFFFAOYSA-N
XLogP3.73
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.74
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-3-yl]oxypyridine
CID 122256548
1-[3-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]sulfonylphenyl]ethanone
CID 122256534
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
2-[4-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylphenoxy]acetamide
CID 119100301
2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636355
3-chloro-4-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]oxypyridine
CID 122243535
4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122260064
4-bromo-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]butan-1-one
CID 122256280
8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
CID 124759299
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one
CID 122256176
4-[(3-chloro-4-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide
CID 119100618

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine?
The IUPAC name of 4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine (CID 122256501) is 4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine.
What is the SMILES notation for 4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine?
The canonical SMILES for 4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine is O=S(=O)(c1ccc(Br)cc1)N1CCCC(Oc2ccncc2Cl)C1.
What is the InChIKey of 4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine?
The InChIKey is JVNNOXYWTAEFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O3S/c17-12-3-5-14(6-4-12)24(21,22)20-9-1-2-13(11-20)23-16-7-8-19-10-15(16)18/h3-8,10,13H,1-2,9,11H2.
What are the key properties of 4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine?
4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine has a molecular weight of 431.74 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]oxy-3-chloropyridine is sourced from PubChem (CID 122256501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).