2-chloro-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide

C17H25ClN2O3S — CID 110351682

IUPAC2-chloro-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide
SMILESCC(C)C[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)N1CCCCC1
InChIInChI=1S/C17H25ClN2O3S/c1-13(2)12-15(17(21)20-10-6-3-7-11-20)19-24(22,23)16-9-5-4-8-14(16)18/h4-5,8-9,13,15,19H,3,6-7,10-12H2,1-2H3/t15-/m0/s1
InChIKeyATMUDUAGHSAECI-HNNXBMFYSA-N
MW372.92 g/mol
LogP3.05
Rot. Bonds6

About 2-chloro-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide

2-chloro-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide (PubChem CID 110351682) has the molecular formula C17H25ClN2O3S and a molecular weight of 372.92 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide
PubChem CID110351682
Molecular FormulaC17H25ClN2O3S
Molecular Weight372.92 g/mol
Exact Mass372.13
IUPAC Name2-chloro-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide
SMILESCC(C)C[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)N1CCCCC1
InChIInChI=1S/C17H25ClN2O3S/c1-13(2)12-15(17(21)20-10-6-3-7-11-20)19-24(22,23)16-9-5-4-8-14(16)18/h4-5,8-9,13,15,19H,3,6-7,10-12H2,1-2H3/t15-/m0/s1
InChIKeyATMUDUAGHSAECI-HNNXBMFYSA-N
XLogP3.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 110351459
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 25271984
2,5-dichloro-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 30142830
5-ethyl-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]thiophene-2-sulfonamide
CID 110351659
5-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]thiophene-2-sulfonamide
CID 110351436
[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl] 3-[(2-chlorophenyl)sulfonylamino]propanoate
CID 26008544
2-chloro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide
CID 110348840
1-acetyl-N-[(2S)-1-(azepan-1-yl)-4-methyl-1-oxopentan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 92661637
2-[[2-[(1-carboxy-3-methylbutyl)sulfamoyl]phenyl]sulfonylamino]-4-methylpentanoic acid
CID 24761708
2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 43361242
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-1-(4-methylphenyl)methanesulfonamide
CID 110351444
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide
CID 110351358

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide (CID 110351682) is 2-chloro-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide is CC(C)C[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)N1CCCCC1.
What is the InChIKey of 2-chloro-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide?
The InChIKey is ATMUDUAGHSAECI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25ClN2O3S/c1-13(2)12-15(17(21)20-10-6-3-7-11-20)19-24(22,23)16-9-5-4-8-14(16)18/h4-5,8-9,13,15,19H,3,6-7,10-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide?
2-chloro-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide has a molecular weight of 372.92 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 110351682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).