1-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide

C20H23ClN2O3S — CID 50808955

IUPAC1-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-15-7-9-19(10-8-15)22-20(24)17-5-3-11-23(13-17)27(25,26)14-16-4-2-6-18(21)12-16/h2,4,6-10,12,17H,3,5,11,13-14H2,1H3,(H,22,24)
InChIKeyIMOYBQIUWVBBNM-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.83
Rot. Bonds5

About 1-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide

1-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide (PubChem CID 50808955) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide
PubChem CID50808955
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name1-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-15-7-9-19(10-8-15)22-20(24)17-5-3-11-23(13-17)27(25,26)14-16-4-2-6-18(21)12-16/h2,4,6-10,12,17H,3,5,11,13-14H2,1H3,(H,22,24)
InChIKeyIMOYBQIUWVBBNM-UHFFFAOYSA-N
XLogP3.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(3-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 92641729
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 92641688
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 100507734
1-[(3-chlorophenyl)methylsulfonyl]-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 133178482
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
CID 92641782
(3R)-1-[(3-chlorophenyl)methylsulfonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 92641787
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide
CID 92641651
(3R)-1-[(3-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide
CID 92641650
(3R)-1-[(3-chlorophenyl)methylsulfonyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 92641652
(3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641906
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpiperidine-3-carboxamide
CID 92641774
methyl 1-[(3-chlorophenyl)methylsulfonyl]piperidine-3-carboxylate
CID 91671575

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide (CID 50808955) is 1-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)Cc3cccc(Cl)c3)C2)cc1.
What is the InChIKey of 1-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide?
The InChIKey is IMOYBQIUWVBBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-15-7-9-19(10-8-15)22-20(24)17-5-3-11-23(13-17)27(25,26)14-16-4-2-6-18(21)12-16/h2,4,6-10,12,17H,3,5,11,13-14H2,1H3,(H,22,24).
What are the key properties of 1-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide?
1-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide has a molecular weight of 406.94 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 50808955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).