1-benzylsulfonyl-N-[2-(4-chlorophenyl)propan-2-yl]piperidine-4-carboxamide

C22H27ClN2O3S — CID 86883702

IUPAC1-benzylsulfonyl-N-[2-(4-chlorophenyl)propan-2-yl]piperidine-4-carboxamide
SMILESCC(C)(NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O3S/c1-22(2,19-8-10-20(23)11-9-19)24-21(26)18-12-14-25(15-13-18)29(27,28)16-17-6-4-3-5-7-17/h3-11,18H,12-16H2,1-2H3,(H,24,26)
InChIKeyLYWAMOWCWPCOHV-UHFFFAOYSA-N
MW434.99 g/mol
LogP3.93
Rot. Bonds6

About 1-benzylsulfonyl-N-[2-(4-chlorophenyl)propan-2-yl]piperidine-4-carboxamide

1-benzylsulfonyl-N-[2-(4-chlorophenyl)propan-2-yl]piperidine-4-carboxamide (PubChem CID 86883702) has the molecular formula C22H27ClN2O3S and a molecular weight of 434.99 g/mol. Its IUPAC name is 1-benzylsulfonyl-N-[2-(4-chlorophenyl)propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzylsulfonyl-N-[2-(4-chlorophenyl)propan-2-yl]piperidine-4-carboxamide
PubChem CID86883702
Molecular FormulaC22H27ClN2O3S
Molecular Weight434.99 g/mol
Exact Mass434.14
IUPAC Name1-benzylsulfonyl-N-[2-(4-chlorophenyl)propan-2-yl]piperidine-4-carboxamide
SMILESCC(C)(NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O3S/c1-22(2,19-8-10-20(23)11-9-19)24-21(26)18-12-14-25(15-13-18)29(27,28)16-17-6-4-3-5-7-17/h3-11,18H,12-16H2,1-2H3,(H,24,26)
InChIKeyLYWAMOWCWPCOHV-UHFFFAOYSA-N
XLogP3.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92802401
1-[(4-chlorophenyl)methylsulfonyl]-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 93486857
1-[(4-chlorophenyl)methylsulfonyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 100568439
1-[(4-chlorophenyl)methylsulfonyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 92642592
1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 29204152
1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 92676349
N-(3-chloro-4-methylphenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642585
N-[2-(4-chlorophenyl)propan-2-yl]oxane-4-carboxamide
CID 113091859
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642579
1-benzylsulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 29204159
N-(2-methyl-1-phenylpropan-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 56922786
N-(5-chloro-2-methylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642541

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N-[2-(4-chlorophenyl)propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-benzylsulfonyl-N-[2-(4-chlorophenyl)propan-2-yl]piperidine-4-carboxamide (CID 86883702) is 1-benzylsulfonyl-N-[2-(4-chlorophenyl)propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzylsulfonyl-N-[2-(4-chlorophenyl)propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzylsulfonyl-N-[2-(4-chlorophenyl)propan-2-yl]piperidine-4-carboxamide is CC(C)(NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-benzylsulfonyl-N-[2-(4-chlorophenyl)propan-2-yl]piperidine-4-carboxamide?
The InChIKey is LYWAMOWCWPCOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3S/c1-22(2,19-8-10-20(23)11-9-19)24-21(26)18-12-14-25(15-13-18)29(27,28)16-17-6-4-3-5-7-17/h3-11,18H,12-16H2,1-2H3,(H,24,26).
What are the key properties of 1-benzylsulfonyl-N-[2-(4-chlorophenyl)propan-2-yl]piperidine-4-carboxamide?
1-benzylsulfonyl-N-[2-(4-chlorophenyl)propan-2-yl]piperidine-4-carboxamide has a molecular weight of 434.99 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N-[2-(4-chlorophenyl)propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 86883702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).