N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide

C15H21ClN2O3S — CID 17027098

IUPACN-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C)CC1
InChIInChI=1S/C15H21ClN2O3S/c1-3-22(20,21)18-8-6-12(7-9-18)15(19)17-14-5-4-13(16)10-11(14)2/h4-5,10,12H,3,6-9H2,1-2H3,(H,17,19)
InChIKeyCKBJEPWRHBEYKH-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.65
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide

N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 17027098) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID17027098
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC NameN-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C)CC1
InChIInChI=1S/C15H21ClN2O3S/c1-3-22(20,21)18-8-6-12(7-9-18)15(19)17-14-5-4-13(16)10-11(14)2/h4-5,10,12H,3,6-9H2,1-2H3,(H,17,19)
InChIKeyCKBJEPWRHBEYKH-UHFFFAOYSA-N
XLogP2.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027084
N-(5-chloro-2-hydroxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 2953828
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092
N-(2,5-difluorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 28550703
N-(4-chloro-2-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021349
N-(5-chloro-2-methylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642541
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921571
4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144375
1-[(4-bromophenyl)methylsulfonyl]-N-(5-chloro-2-methylphenyl)piperidine-4-carboxamide
CID 92676894
1-[(4-bromophenyl)methyl]-N-(4-chloro-2-methylphenyl)piperidine-4-carboxamide
CID 43921575
4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 109150231

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide (CID 17027098) is N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2C)CC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is CKBJEPWRHBEYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-3-22(20,21)18-8-6-12(7-9-18)15(19)17-14-5-4-13(16)10-11(14)2/h4-5,10,12H,3,6-9H2,1-2H3,(H,17,19).
What are the key properties of N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 344.86 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 17027098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).