N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide

C14H19ClN2O3S — CID 17027092

IUPACN-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O3S/c1-2-21(19,20)17-9-7-11(8-10-17)14(18)16-13-6-4-3-5-12(13)15/h3-6,11H,2,7-10H2,1H3,(H,16,18)
InChIKeyLORHQXACDMSOKJ-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.34
Rot. Bonds4

About N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide

N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 17027092) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID17027092
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O3S/c1-2-21(19,20)17-9-7-11(8-10-17)14(18)16-13-6-4-3-5-12(13)15/h3-6,11H,2,7-10H2,1H3,(H,16,18)
InChIKeyLORHQXACDMSOKJ-UHFFFAOYSA-N
XLogP2.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(2-chlorophenyl)piperidine-4-carboxamide
CID 92642655
N-(2-chlorophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 21372919
N-(5-chloro-2-hydroxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 2953828
N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027098
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
N-[2-(2,3-dihydroindol-1-yl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 38748916
N-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075573
N-[2-(tert-butylcarbamoyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 53277973
N-(2-chlorophenyl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935229
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
N-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642431
N-(2-chlorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26574910

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide (CID 17027092) is N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is LORHQXACDMSOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-2-21(19,20)17-9-7-11(8-10-17)14(18)16-13-6-4-3-5-12(13)15/h3-6,11H,2,7-10H2,1H3,(H,16,18).
What are the key properties of N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 330.84 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 17027092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).