ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate

C16H20ClNO5S — CID 59342392

IUPACethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate
SMILESCCOC(=O)C1CC(=O)CC(CC)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO5S/c1-3-12-9-13(19)10-15(16(20)23-4-2)18(12)24(21,22)14-7-5-11(17)6-8-14/h5-8,12,15H,3-4,9-10H2,1-2H3
InChIKeyURTPADRRVZETPN-UHFFFAOYSA-N
MW373.86 g/mol
LogP2.40
Rot. Bonds5

About ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate

ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate (PubChem CID 59342392) has the molecular formula C16H20ClNO5S and a molecular weight of 373.86 g/mol. Its IUPAC name is ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate
PubChem CID59342392
Molecular FormulaC16H20ClNO5S
Molecular Weight373.86 g/mol
Exact Mass373.08
IUPAC Nameethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate
SMILESCCOC(=O)C1CC(=O)CC(CC)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO5S/c1-3-12-9-13(19)10-15(16(20)23-4-2)18(12)24(21,22)14-7-5-11(17)6-8-14/h5-8,12,15H,3-4,9-10H2,1-2H3
InChIKeyURTPADRRVZETPN-UHFFFAOYSA-N
XLogP2.40
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate?
The IUPAC name of ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate (CID 59342392) is ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate is CCOC(=O)C1CC(=O)CC(CC)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate?
The InChIKey is URTPADRRVZETPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO5S/c1-3-12-9-13(19)10-15(16(20)23-4-2)18(12)24(21,22)14-7-5-11(17)6-8-14/h5-8,12,15H,3-4,9-10H2,1-2H3.
What are the key properties of ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate?
ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate has a molecular weight of 373.86 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-chlorophenyl)sulfonyl-6-ethyl-4-oxopiperidine-2-carboxylate is sourced from PubChem (CID 59342392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).