2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide

C20H23ClN2O3S — CID 108559899

IUPAC2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3Cl)CC2)c(C)c1
InChIInChI=1S/C20H23ClN2O3S/c1-14-7-8-19(15(2)13-14)27(25,26)23-11-9-16(10-12-23)22-20(24)17-5-3-4-6-18(17)21/h3-8,13,16H,9-12H2,1-2H3,(H,22,24)
InChIKeyIKHQMSKEGLHMJK-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.54
Rot. Bonds4

About 2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide

2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide (PubChem CID 108559899) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
PubChem CID108559899
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3Cl)CC2)c(C)c1
InChIInChI=1S/C20H23ClN2O3S/c1-14-7-8-19(15(2)13-14)27(25,26)23-11-9-16(10-12-23)22-20(24)17-5-3-4-6-18(17)21/h3-8,13,16H,9-12H2,1-2H3,(H,22,24)
InChIKeyIKHQMSKEGLHMJK-UHFFFAOYSA-N
XLogP3.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559242
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide
CID 108562672
N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 32681074
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide
CID 108562768
3-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 108562318
N-(2-acetylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26067591
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide
CID 108561675
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108560662
2-hydroxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108560151
N-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 71540946
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 108559603
N-(2-adamantyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 78799184

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide (CID 108559899) is 2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3Cl)CC2)c(C)c1.
What is the InChIKey of 2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide?
The InChIKey is IKHQMSKEGLHMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-14-7-8-19(15(2)13-14)27(25,26)23-11-9-16(10-12-23)22-20(24)17-5-3-4-6-18(17)21/h3-8,13,16H,9-12H2,1-2H3,(H,22,24).
What are the key properties of 2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide?
2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide has a molecular weight of 406.94 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide is sourced from PubChem (CID 108559899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).