1-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide

C14H19ClN2O3S — CID 2821923

IUPAC1-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O3S/c15-12-1-3-13(4-2-12)21(19,20)10-9-17-7-5-11(6-8-17)14(16)18/h1-4,11H,5-10H2,(H2,16,18)
InChIKeyMCSAWLNKPWKBMX-UHFFFAOYSA-N
MW330.84 g/mol
LogP1.31
Rot. Bonds5

About 1-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide

1-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide (PubChem CID 2821923) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide
PubChem CID2821923
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name1-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O3S/c15-12-1-3-13(4-2-12)21(19,20)10-9-17-7-5-11(6-8-17)14(16)18/h1-4,11H,5-10H2,(H2,16,18)
InChIKeyMCSAWLNKPWKBMX-UHFFFAOYSA-N
XLogP1.31
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{3-[(4-Chlorophenyl)sulfanyl]propanoyl}piperidine-4-carboxamide
CID 778062
1-(4-chlorophenyl)sulfonyl-N-(4,5-dihydro-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 4615334
1-(4-chlorophenyl)sulfonyl-N-(3-piperidin-1-ylpropyl)cyclopropane-1-carboxamide
CID 5309230
Azetidin-1-yl-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 7999036
1-[(4-Chlorophenyl)sulfonyl]piperidine-4-carbohydrazide
CID 580731
3-(4-chlorophenyl)sulfonyl-N-(2-methylcyclohexyl)propanamide
CID 4012085
1-{N-[(4-chlorophenyl)sulfonyl]-N-ethylglycyl}piperidine-4-carboxamide
CID 2982052
4-Chloro-N-[3-(4-methyl-piperidin-1-yl)-3-oxo-propyl]-benzenesulfonamide
CID 3160568
3-(4-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 24819683
1-[2-(Benzenesulfonyl)ethyl]piperidine-4-carboxamide
CID 2821924
3-[(4-Chlorophenyl)sulfonylmethyl]piperidine-2,6-dione
CID 159430074
1-[(4-chlorophenyl)sulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclopropanecarboxamide
CID 22429149

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide (CID 2821923) is 1-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide?
The InChIKey is MCSAWLNKPWKBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c15-12-1-3-13(4-2-12)21(19,20)10-9-17-7-5-11(6-8-17)14(16)18/h1-4,11H,5-10H2,(H2,16,18).
What are the key properties of 1-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide?
1-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide has a molecular weight of 330.84 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 2821923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).