N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide

C16H23ClN2O3S — CID 113152545

IUPACN-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCc1ccc(Cl)cc1)CC(=O)N1CCCCC1
InChIInChI=1S/C16H23ClN2O3S/c1-23(21,22)19(12-9-14-5-7-15(17)8-6-14)13-16(20)18-10-3-2-4-11-18/h5-8H,2-4,9-13H2,1H3
InChIKeyUWDIWDCTIHDHEH-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.16
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide

N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide (PubChem CID 113152545) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
PubChem CID113152545
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCc1ccc(Cl)cc1)CC(=O)N1CCCCC1
InChIInChI=1S/C16H23ClN2O3S/c1-23(21,22)19(12-9-14-5-7-15(17)8-6-14)13-16(20)18-10-3-2-4-11-18/h5-8H,2-4,9-13H2,1H3
InChIKeyUWDIWDCTIHDHEH-UHFFFAOYSA-N
XLogP2.16
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113165395
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
CID 113151832
N-[2-(4-fluorophenyl)ethyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 113152017
N-[2-(3-chlorophenyl)ethyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 113153558
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propylmethanesulfonamide
CID 113147458
N-[(4-chlorophenyl)methyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]methanesulfonamide
CID 7378847
2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-cyclopentylacetamide
CID 113152544
5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one
CID 56982056
N-[3-(dimethylamino)propyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113150088
N-[(4-methoxyphenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113151239
N-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113148243
N-(2-oxo-2-piperidin-1-ylethyl)-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 113151736

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide (CID 113152545) is N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide is CS(=O)(=O)N(CCc1ccc(Cl)cc1)CC(=O)N1CCCCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The InChIKey is UWDIWDCTIHDHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-23(21,22)19(12-9-14-5-7-15(17)8-6-14)13-16(20)18-10-3-2-4-11-18/h5-8H,2-4,9-13H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide has a molecular weight of 358.89 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 113152545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).