N-(3,4-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

C20H22Cl2N2O3S — CID 92642430

IUPACN-(3,4-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H22Cl2N2O3S/c1-14-4-2-3-5-16(14)13-28(26,27)24-10-8-15(9-11-24)20(25)23-17-6-7-18(21)19(22)12-17/h2-7,12,15H,8-11,13H2,1H3,(H,23,25)
InChIKeyCJDJMOLMJWMMPJ-UHFFFAOYSA-N
MW441.38 g/mol
LogP4.48
Rot. Bonds5

About N-(3,4-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

N-(3,4-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide (PubChem CID 92642430) has the molecular formula C20H22Cl2N2O3S and a molecular weight of 441.38 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
PubChem CID92642430
Molecular FormulaC20H22Cl2N2O3S
Molecular Weight441.38 g/mol
Exact Mass440.07
IUPAC NameN-(3,4-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H22Cl2N2O3S/c1-14-4-2-3-5-16(14)13-28(26,27)24-10-8-15(9-11-24)20(25)23-17-6-7-18(21)19(22)12-17/h2-7,12,15H,8-11,13H2,1H3,(H,23,25)
InChIKeyCJDJMOLMJWMMPJ-UHFFFAOYSA-N
XLogP4.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642621
N-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642431
1-[(2-chlorophenyl)methylsulfonyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 92642504
ethyl 3-[[1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate
CID 43910213
N-(3-chloro-4-methylphenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642585
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 92642670
N-(4-carbamoylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46265573
ethyl 3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate
CID 92683990
(3R)-N-(4-chlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641424
N-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 71540946
N-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24638766
1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 1326765

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide (CID 92642430) is N-(3,4-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide is Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The InChIKey is CJDJMOLMJWMMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3S/c1-14-4-2-3-5-16(14)13-28(26,27)24-10-8-15(9-11-24)20(25)23-17-6-7-18(21)19(22)12-17/h2-7,12,15H,8-11,13H2,1H3,(H,23,25).
What are the key properties of N-(3,4-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
N-(3,4-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide has a molecular weight of 441.38 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 92642430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).