N-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide

C16H23ClN2O3S — CID 113002892

IUPACN-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O3S/c1-3-12(2)18-16(20)13-8-10-19(11-9-13)23(21,22)15-7-5-4-6-14(15)17/h4-7,12-13H,3,8-11H2,1-2H3,(H,18,20)
InChIKeyQCMGCNXMKTYDLL-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.66
Rot. Bonds5

About N-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide

N-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 113002892) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is N-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID113002892
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC NameN-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O3S/c1-3-12(2)18-16(20)13-8-10-19(11-9-13)23(21,22)15-7-5-4-6-14(15)17/h4-7,12-13H,3,8-11H2,1-2H3,(H,18,20)
InChIKeyQCMGCNXMKTYDLL-UHFFFAOYSA-N
XLogP2.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)sulfonyl-N-pentan-2-ylpiperidine-4-carboxamide
CID 3157096
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 46512813
N-butan-2-yl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 113002889
1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975012
N-[(2S)-butan-2-yl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 41447264
N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802448
N-butan-2-yl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 113002877
N-(4-chlorophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166628369
N-(4-bromophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166626240
N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 60518129
1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030799
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 7248375

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide (CID 113002892) is N-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of N-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is QCMGCNXMKTYDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-3-12(2)18-16(20)13-8-10-19(11-9-13)23(21,22)15-7-5-4-6-14(15)17/h4-7,12-13H,3,8-11H2,1-2H3,(H,18,20).
What are the key properties of N-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide?
N-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 358.89 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 113002892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).