1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide

C15H21ClN2O3S — CID 110347605

IUPAC1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
SMILESC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C15H21ClN2O3S/c1-12(15(19)18-9-3-2-4-10-18)17-22(20,21)11-13-5-7-14(16)8-6-13/h5-8,12,17H,2-4,9-11H2,1H3/t12-/m0/s1
InChIKeyNMMKPAIWNAKTOM-LBPRGKRZSA-N
MW344.86 g/mol
LogP2.16
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide

1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide (PubChem CID 110347605) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
PubChem CID110347605
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
SMILESC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C15H21ClN2O3S/c1-12(15(19)18-9-3-2-4-10-18)17-22(20,21)11-13-5-7-14(16)8-6-13/h5-8,12,17H,2-4,9-11H2,1H3/t12-/m0/s1
InChIKeyNMMKPAIWNAKTOM-LBPRGKRZSA-N
XLogP2.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 94667978
1-(4-chlorophenyl)-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 75357606
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide
CID 51087827
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)ethanesulfonamide
CID 112687583
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-1-(4-methylphenyl)methanesulfonamide
CID 110351444
ethyl 4-[(2S)-2-(benzylsulfonylamino)propanoyl]piperazine-1-carboxylate
CID 110348540
4-ethyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94654828
3-chloro-4-fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94797865
2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115576764
1-(4-fluorophenyl)-N-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 94811590
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 51089554
5-[(4-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)furan-2-carboxamide
CID 110280405

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide (CID 110347605) is 1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide is C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)C(=O)N1CCCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide?
The InChIKey is NMMKPAIWNAKTOM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-12(15(19)18-9-3-2-4-10-18)17-22(20,21)11-13-5-7-14(16)8-6-13/h5-8,12,17H,2-4,9-11H2,1H3/t12-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide?
1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide has a molecular weight of 344.86 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 110347605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).