(2-oxo-2-piperidin-1-ylethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate

C18H22Cl2N2O6S — CID 2352454

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCC(=O)N1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C18H22Cl2N2O6S/c19-14-11-15(20)16(29(25,26)22-6-8-27-9-7-22)10-13(14)18(24)28-12-17(23)21-4-2-1-3-5-21/h10-11H,1-9,12H2
InChIKeyKTIHJOMEDHZUAW-UHFFFAOYSA-N
MW465.36 g/mol
LogP2.18
Rot. Bonds5

About (2-oxo-2-piperidin-1-ylethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate

(2-oxo-2-piperidin-1-ylethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate (PubChem CID 2352454) has the molecular formula C18H22Cl2N2O6S and a molecular weight of 465.36 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
PubChem CID2352454
Molecular FormulaC18H22Cl2N2O6S
Molecular Weight465.36 g/mol
Exact Mass464.06
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
SMILESO=C(OCC(=O)N1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C18H22Cl2N2O6S/c19-14-11-15(20)16(29(25,26)22-6-8-27-9-7-22)10-13(14)18(24)28-12-17(23)21-4-2-1-3-5-21/h10-11H,1-9,12H2
InChIKeyKTIHJOMEDHZUAW-UHFFFAOYSA-N
XLogP2.18
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate (CID 2352454) is (2-oxo-2-piperidin-1-ylethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate is O=C(OCC(=O)N1CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
The InChIKey is KTIHJOMEDHZUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2O6S/c19-14-11-15(20)16(29(25,26)22-6-8-27-9-7-22)10-13(14)18(24)28-12-17(23)21-4-2-1-3-5-21/h10-11H,1-9,12H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate?
(2-oxo-2-piperidin-1-ylethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate has a molecular weight of 465.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 2352454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).