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

C14H19ClN2O3S — CID 3240647

IUPACN-[(2-chlorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C14H19ClN2O3S/c1-21(19,20)17-8-4-6-12(10-17)14(18)16-9-11-5-2-3-7-13(11)15/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,16,18)
InChIKeyUWNRJQKRBWGMSP-UHFFFAOYSA-N
MW330.84 g/mol
LogP1.63
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 3240647) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID3240647
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN-[(2-chlorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C14H19ClN2O3S/c1-21(19,20)17-8-4-6-12(10-17)14(18)16-9-11-5-2-3-7-13(11)15/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,16,18)
InChIKeyUWNRJQKRBWGMSP-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]pentanamide
CID 2218154
N-(4-chlorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 755616
N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide
CID 1077699
N-(2-chlorobenzyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3236552
N-{3-[benzyl(methyl)amino]propyl}-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3240860
N-[2-(4-chlorophenyl)ethyl]-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3245010
N-[(2-chloro-4-fluorophenyl)methyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CID 4293809
N-[(2-chloro-4-fluorophenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 5165086
1-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 15995005
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
N-[2-(4-chlorophenyl)ethyl]-1-[(3,5-dimethylpiperidin-1-yl)sulfonyl]piperidine-3-carboxamide
CID 20968302

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 3240647) is N-[(2-chlorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is UWNRJQKRBWGMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-21(19,20)17-8-4-6-12(10-17)14(18)16-9-11-5-2-3-7-13(11)15/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,16,18).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 330.84 g/mol, XLogP of 1.63, 4 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-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3240647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).