N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide

C13H16Cl2N2O3S — CID 45374342

IUPACN-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O3S/c1-21(19,20)17-7-5-9(6-8-17)13(18)16-12-10(14)3-2-4-11(12)15/h2-4,9H,5-8H2,1H3,(H,16,18)
InChIKeyUKYMBZIMKNFBPU-UHFFFAOYSA-N
MW351.26 g/mol
LogP2.60
Rot. Bonds3

About N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide

N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 45374342) has the molecular formula C13H16Cl2N2O3S and a molecular weight of 351.26 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID45374342
Molecular FormulaC13H16Cl2N2O3S
Molecular Weight351.26 g/mol
Exact Mass350.03
IUPAC NameN-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O3S/c1-21(19,20)17-7-5-9(6-8-17)13(18)16-12-10(14)3-2-4-11(12)15/h2-4,9H,5-8H2,1H3,(H,16,18)
InChIKeyUKYMBZIMKNFBPU-UHFFFAOYSA-N
XLogP2.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17469903
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629
1-[(4-bromophenyl)methylsulfonyl]-N-(2,6-dichlorophenyl)piperidine-4-carboxamide
CID 30378518
N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 2192347
N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 17022797
N-(2,6-dichlorophenyl)cyclohexanecarboxamide
CID 897145
N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027123
1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide
CID 110726347
N-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 30875404
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603278
N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 1081285
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide (CID 45374342) is N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is UKYMBZIMKNFBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3S/c1-21(19,20)17-7-5-9(6-8-17)13(18)16-12-10(14)3-2-4-11(12)15/h2-4,9H,5-8H2,1H3,(H,16,18).
What are the key properties of N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 351.26 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 45374342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).