N-(2-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide

C13H17ClN2O3S — CID 6460089

IUPACN-(2-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C13H17ClN2O3S/c1-20(18,19)16-8-4-5-10(9-16)13(17)15-12-7-3-2-6-11(12)14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,17)
InChIKeyGRJCOSIXSFRICK-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.95
Rot. Bonds3

About N-(2-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide

N-(2-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 6460089) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID6460089
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC NameN-(2-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)Nc2ccccc2Cl)C1
InChIInChI=1S/C13H17ClN2O3S/c1-20(18,19)16-8-4-5-10(9-16)13(17)15-12-7-3-2-6-11(12)14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,17)
InChIKeyGRJCOSIXSFRICK-UHFFFAOYSA-N
XLogP1.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 6460089) is N-(2-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)Nc2ccccc2Cl)C1.
What is the InChIKey of N-(2-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is GRJCOSIXSFRICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-20(18,19)16-8-4-5-10(9-16)13(17)15-12-7-3-2-6-11(12)14/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,17).
What are the key properties of N-(2-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide?
N-(2-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 316.81 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 6460089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).