(2-oxo-2-piperidin-1-ylethyl) 3-(4-chlorophenyl)sulfonylpropanoate

C16H20ClNO5S — CID 2363075

IUPAC(2-oxo-2-piperidin-1-ylethyl) 3-(4-chlorophenyl)sulfonylpropanoate
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)OCC(=O)N1CCCCC1
InChIInChI=1S/C16H20ClNO5S/c17-13-4-6-14(7-5-13)24(21,22)11-8-16(20)23-12-15(19)18-9-2-1-3-10-18/h4-7H,1-3,8-12H2
InChIKeyLVFWHKRRAQEZDO-UHFFFAOYSA-N
MW373.86 g/mol
LogP2.06
Rot. Bonds6

About (2-oxo-2-piperidin-1-ylethyl) 3-(4-chlorophenyl)sulfonylpropanoate

(2-oxo-2-piperidin-1-ylethyl) 3-(4-chlorophenyl)sulfonylpropanoate (PubChem CID 2363075) has the molecular formula C16H20ClNO5S and a molecular weight of 373.86 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 3-(4-chlorophenyl)sulfonylpropanoate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 3-(4-chlorophenyl)sulfonylpropanoate
PubChem CID2363075
Molecular FormulaC16H20ClNO5S
Molecular Weight373.86 g/mol
Exact Mass373.08
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 3-(4-chlorophenyl)sulfonylpropanoate
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)OCC(=O)N1CCCCC1
InChIInChI=1S/C16H20ClNO5S/c17-13-4-6-14(7-5-13)24(21,22)11-8-16(20)23-12-15(19)18-9-2-1-3-10-18/h4-7H,1-3,8-12H2
InChIKeyLVFWHKRRAQEZDO-UHFFFAOYSA-N
XLogP2.06
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 3-(4-chlorophenyl)sulfonylpropanoate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 3-(4-chlorophenyl)sulfonylpropanoate (CID 2363075) is (2-oxo-2-piperidin-1-ylethyl) 3-(4-chlorophenyl)sulfonylpropanoate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 3-(4-chlorophenyl)sulfonylpropanoate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 3-(4-chlorophenyl)sulfonylpropanoate is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)OCC(=O)N1CCCCC1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 3-(4-chlorophenyl)sulfonylpropanoate?
The InChIKey is LVFWHKRRAQEZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO5S/c17-13-4-6-14(7-5-13)24(21,22)11-8-16(20)23-12-15(19)18-9-2-1-3-10-18/h4-7H,1-3,8-12H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 3-(4-chlorophenyl)sulfonylpropanoate?
(2-oxo-2-piperidin-1-ylethyl) 3-(4-chlorophenyl)sulfonylpropanoate has a molecular weight of 373.86 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 3-(4-chlorophenyl)sulfonylpropanoate is sourced from PubChem (CID 2363075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).