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

C15H21ClN2O3S — CID 2224290

IUPACN-[(4-chlorophenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3S/c1-22(20,21)18(11-13-5-7-14(16)8-6-13)12-15(19)17-9-3-2-4-10-17/h5-8H,2-4,9-12H2,1H3
InChIKeyPLNDFPJQGXDTBI-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.11
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide (PubChem CID 2224290) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
PubChem CID2224290
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC NameN-[(4-chlorophenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3S/c1-22(20,21)18(11-13-5-7-14(16)8-6-13)12-15(19)17-9-3-2-4-10-17/h5-8H,2-4,9-12H2,1H3
InChIKeyPLNDFPJQGXDTBI-UHFFFAOYSA-N
XLogP2.11
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Chlormezanone
CID 2717
N-(4-chlorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 755616
N-Benzyl-N-(2-oxo-2-piperidin-1-yl-ethyl)-methanesulfonamide
CID 848132
N-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 2231446
N-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 6463729
N-benzyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 848134
N-benzyl-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 982232
ethyl 4-[N-(4-chlorobenzyl)-N-(phenylsulfonyl)glycyl]piperazine-1-carboxylate
CID 987612
N-(4-chlorobenzyl)-N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]methanesulfonamide
CID 2304343
1-(4-(4-Chlorophenylcarbonothioyl)piperazin-1-yl)ethanone
CID 2918695
ethyl 1-[N-(4-chlorobenzyl)-N-(methylsulfonyl)glycyl]-4-piperidinecarboxylate
CID 2967331
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-pentylacetamide
CID 145978924

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide (CID 2224290) is N-[(4-chlorophenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCCC1)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The InChIKey is PLNDFPJQGXDTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-22(20,21)18(11-13-5-7-14(16)8-6-13)12-15(19)17-9-3-2-4-10-17/h5-8H,2-4,9-12H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
N-[(4-chlorophenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide has a molecular weight of 344.86 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 2224290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).