N-[(2-chlorophenyl)methyl]-1-ethylsulfonylpiperidine-3-carboxamide

C15H21ClN2O3S — CID 3243767

IUPACN-[(2-chlorophenyl)methyl]-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C15H21ClN2O3S/c1-2-22(20,21)18-9-5-7-13(11-18)15(19)17-10-12-6-3-4-8-14(12)16/h3-4,6,8,13H,2,5,7,9-11H2,1H3,(H,17,19)
InChIKeyGZTYLVMTGKGWTG-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.02
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-ethylsulfonylpiperidine-3-carboxamide

N-[(2-chlorophenyl)methyl]-1-ethylsulfonylpiperidine-3-carboxamide (PubChem CID 3243767) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-ethylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-ethylsulfonylpiperidine-3-carboxamide
PubChem CID3243767
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC NameN-[(2-chlorophenyl)methyl]-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C15H21ClN2O3S/c1-2-22(20,21)18-9-5-7-13(11-18)15(19)17-10-12-6-3-4-8-14(12)16/h3-4,6,8,13H,2,5,7,9-11H2,1H3,(H,17,19)
InChIKeyGZTYLVMTGKGWTG-UHFFFAOYSA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 755616
N-(2-phenylethyl)-1-(propylsulfonyl)piperidine-3-carboxamide
CID 4057576
1-(butylsulfonyl)-N-(2-phenylethyl)-3-piperidinecarboxamide
CID 6473196
N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide
CID 1077699
N-(2-chlorobenzyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 1209529
N-(2-chlorobenzyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3236552
N-{3-[benzyl(isopropyl)amino]propyl}-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3236804
N-{3-[benzyl(methyl)amino]propyl}-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3240860
N-{2-[benzyl(isopropyl)amino]ethyl}-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3241559
N-[2-(4-chlorophenyl)ethyl]-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3245010
N-[(2-chlorophenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CID 16034258
N-(3-((2-chlorobenzyl)amino)-3-oxopropyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 16420567

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-ethylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-ethylsulfonylpiperidine-3-carboxamide (CID 3243767) is N-[(2-chlorophenyl)methyl]-1-ethylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-ethylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-ethylsulfonylpiperidine-3-carboxamide is CCS(=O)(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-ethylsulfonylpiperidine-3-carboxamide?
The InChIKey is GZTYLVMTGKGWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-2-22(20,21)18-9-5-7-13(11-18)15(19)17-10-12-6-3-4-8-14(12)16/h3-4,6,8,13H,2,5,7,9-11H2,1H3,(H,17,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-ethylsulfonylpiperidine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-1-ethylsulfonylpiperidine-3-carboxamide has a molecular weight of 344.86 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-ethylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3243767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).