N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide

C16H23ClN2O3S — CID 55647082

IUPACN-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2cccc(Cl)c2C)C1
InChIInChI=1S/C16H23ClN2O3S/c1-3-10-23(21,22)19-9-5-6-13(11-19)16(20)18-15-8-4-7-14(17)12(15)2/h4,7-8,13H,3,5-6,9-11H2,1-2H3,(H,18,20)
InChIKeyUECRTTAYLWKXEH-UHFFFAOYSA-N
MW358.89 g/mol
LogP3.04
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide

N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 55647082) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID55647082
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC NameN-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)Nc2cccc(Cl)c2C)C1
InChIInChI=1S/C16H23ClN2O3S/c1-3-10-23(21,22)19-9-5-6-13(11-19)16(20)18-15-8-4-7-14(17)12(15)2/h4,7-8,13H,3,5-6,9-11H2,1-2H3,(H,18,20)
InChIKeyUECRTTAYLWKXEH-UHFFFAOYSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-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

Related Compounds

N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide
CID 55647051
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 50811103
(3R)-N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 1081678
(3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51955455
(3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51941069
(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 92641578
(3R)-N-(3-carbamoyl-2-methylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 95875581
1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 6472618
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55798853
N-(2-chloro-3-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 146337060
(3R)-1-ethylsulfonyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 125145391
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4115045

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide (CID 55647082) is N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)Nc2cccc(Cl)c2C)C1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is UECRTTAYLWKXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-3-10-23(21,22)19-9-5-6-13(11-19)16(20)18-15-8-4-7-14(17)12(15)2/h4,7-8,13H,3,5-6,9-11H2,1-2H3,(H,18,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide?
N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 358.89 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55647082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).