N-(4-chlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide

C13H17ClN2O3S — CID 892073

IUPACN-(4-chlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H17ClN2O3S/c1-20(18,19)16-8-6-10(7-9-16)13(17)15-12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3,(H,15,17)
InChIKeyXSVCEBBMABROJT-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.95
Rot. Bonds3

About N-(4-chlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide

N-(4-chlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 892073) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID892073
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC NameN-(4-chlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H17ClN2O3S/c1-20(18,19)16-8-6-10(7-9-16)13(17)15-12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3,(H,15,17)
InChIKeyXSVCEBBMABROJT-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-(4-chlorophenyl)-1-methylsulfonylpiperidine-4-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-chlorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 6460089
(3S)-N-(4-chloro-3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 139267759
N-(3-chloro-4-methylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 892262
N-(3-fluorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 893951
N-(4-chloro-2-methylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 1081267
N-(3-chloro-2-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 1081283
1-(ethylsulfonyl)-N-(3-fluorophenyl)-4-piperidinecarboxamide
CID 2953659
(3R,4R)-3-N-(4-chlorophenyl)-4-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-1-methylsulfonylpyrrolidine-3,4-dicarboxamide
CID 49864307
N-(4-fluorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 900325
N-(2,4-difluorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 646174
N-(4-butylphenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide
CID 2956776
N-(4-chlorophenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride
CID 16187409

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide (CID 892073) is N-(4-chlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is XSVCEBBMABROJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c1-20(18,19)16-8-6-10(7-9-16)13(17)15-12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3,(H,15,17).
What are the key properties of N-(4-chlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(4-chlorophenyl)-1-methylsulfonylpiperidine-4-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-(4-chlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 892073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).