(2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide

C13H17ClN2O3S — CID 104912877

IUPAC(2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C13H17ClN2O3S/c1-20(18,19)9-5-6-10(14)12(8-9)16-13(17)11-4-2-3-7-15-11/h5-6,8,11,15H,2-4,7H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyCQLCYXBBBQORHT-LLVKDONJSA-N
MW316.81 g/mol
LogP1.82
Rot. Bonds3

About (2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide

(2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide (PubChem CID 104912877) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is (2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide
PubChem CID104912877
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name(2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCCCN2)c1
InChIInChI=1S/C13H17ClN2O3S/c1-20(18,19)9-5-6-10(14)12(8-9)16-13(17)11-4-2-3-7-15-11/h5-6,8,11,15H,2-4,7H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyCQLCYXBBBQORHT-LLVKDONJSA-N
XLogP1.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 43703422
N-(2-hydroxy-5-methylsulfonylphenyl)azepane-2-carboxamide
CID 81421925
(2R)-N-(2-hydroxy-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 104901321
(2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide
CID 103808460
(2S)-N-(2-chloro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 103794561
(2R)-N-(2-chloro-5-nitrophenyl)piperidine-2-carboxamide
CID 104913032
N-(5-carbamoyl-2-chlorophenyl)piperidine-2-carboxamide
CID 43701566
N-(2-chloro-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 55150235
N-(5-carbamoyl-2-chlorophenyl)azepane-2-carboxamide
CID 64563989
N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide
CID 119280739
N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43711061
(2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 104912791

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide (CID 104912877) is (2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide is CS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCCCN2)c1.
What is the InChIKey of (2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide?
The InChIKey is CQLCYXBBBQORHT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-20(18,19)9-5-6-10(14)12(8-9)16-13(17)11-4-2-3-7-15-11/h5-6,8,11,15H,2-4,7H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide?
(2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide has a molecular weight of 316.81 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 104912877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).