1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine

C12H16ClNO3S — CID 757936

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H16ClNO3S/c1-17-11-6-5-10(13)9-12(11)18(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyHGLCGKRBWOSYLS-UHFFFAOYSA-N
MW289.78 g/mol
LogP2.52
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine

1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine (PubChem CID 757936) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
PubChem CID757936
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H16ClNO3S/c1-17-11-6-5-10(13)9-12(11)18(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyHGLCGKRBWOSYLS-UHFFFAOYSA-N
XLogP2.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(5-chloro-2-methoxyphenyl)sulfonyl-3-phenylazepane
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[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine (CID 757936) is 1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine is COc1ccc(Cl)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine?
The InChIKey is HGLCGKRBWOSYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-17-11-6-5-10(13)9-12(11)18(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine?
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine has a molecular weight of 289.78 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 757936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).