[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone

C16H20Cl2N2O3S — CID 4788666

IUPAC[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N1CCCC1
InChIInChI=1S/C16H20Cl2N2O3S/c17-13-4-3-5-14(18)15(13)24(22,23)20-10-6-12(7-11-20)16(21)19-8-1-2-9-19/h3-5,12H,1-2,6-11H2
InChIKeyXSQYWUMRYRLLDZ-UHFFFAOYSA-N
MW391.32 g/mol
LogP3.02
Rot. Bonds3

About [1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 4788666) has the molecular formula C16H20Cl2N2O3S and a molecular weight of 391.32 g/mol. Its IUPAC name is [1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID4788666
Molecular FormulaC16H20Cl2N2O3S
Molecular Weight391.32 g/mol
Exact Mass390.06
IUPAC Name[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N1CCCC1
InChIInChI=1S/C16H20Cl2N2O3S/c17-13-4-3-5-14(18)15(13)24(22,23)20-10-6-12(7-11-20)16(21)19-8-1-2-9-19/h3-5,12H,1-2,6-11H2
InChIKeyXSQYWUMRYRLLDZ-UHFFFAOYSA-N
XLogP3.02
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 4788666) is [1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)N1CCCC1.
What is the InChIKey of [1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is XSQYWUMRYRLLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O3S/c17-13-4-3-5-14(18)15(13)24(22,23)20-10-6-12(7-11-20)16(21)19-8-1-2-9-19/h3-5,12H,1-2,6-11H2.
What are the key properties of [1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 391.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 4788666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).