[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone

C21H24Cl2N2O3S — CID 58210786

IUPAC[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2cc(Cl)c(C)cc2Cl)n1
InChIInChI=1S/C21H24Cl2N2O3S/c1-3-16-8-4-5-10-25(16)21(26)19-9-6-7-15(24-19)13-29(27,28)20-12-17(22)14(2)11-18(20)23/h6-7,9,11-12,16H,3-5,8,10,13H2,1-2H3
InChIKeyCUIPEYCNUYPFIR-UHFFFAOYSA-N
MW455.41 g/mol
LogP5.08
Rot. Bonds5

About [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone

[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 58210786) has the molecular formula C21H24Cl2N2O3S and a molecular weight of 455.41 g/mol. Its IUPAC name is [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID58210786
Molecular FormulaC21H24Cl2N2O3S
Molecular Weight455.41 g/mol
Exact Mass454.09
IUPAC Name[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2cc(Cl)c(C)cc2Cl)n1
InChIInChI=1S/C21H24Cl2N2O3S/c1-3-16-8-4-5-10-25(16)21(26)19-9-6-7-15(24-19)13-29(27,28)20-12-17(22)14(2)11-18(20)23/h6-7,9,11-12,16H,3-5,8,10,13H2,1-2H3
InChIKeyCUIPEYCNUYPFIR-UHFFFAOYSA-N
XLogP5.08
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.41
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone with MolForge

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Related Compounds

Pyridine amide, 8
CID 44236983
Pyridine amide, 17
CID 44236985
Pyridine amide, 6
CID 44236995
Pyridine amide, 19
CID 44236987
Pyridine amide, 14
CID 44237000
[6-(3-Chlorophenyl)-5-cyclopropyl-2-pyridinyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 71105563
[6-[(4-Chlorophenylsulfonyl)(2,5-difluorophenyl)methyl]pyridin-2-yl](4-methylpiperazin-1-yl)methanone
CID 23114786
[6-[(3-Chloro-4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 51038918
[6-[(2-Chloro-4-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 51038919
[6-[(2,3-Dichlorophenyl)sulfonylmethyl]pyridin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 58210511
[6-[(2-Chloro-4-fluorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58210612
[6-[(3-Chloro-4-fluorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58210733

Frequently Asked Questions

What is the IUPAC name of [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone (CID 58210786) is [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2cc(Cl)c(C)cc2Cl)n1.
What is the InChIKey of [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is CUIPEYCNUYPFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O3S/c1-3-16-8-4-5-10-25(16)21(26)19-9-6-7-15(24-19)13-29(27,28)20-12-17(22)14(2)11-18(20)23/h6-7,9,11-12,16H,3-5,8,10,13H2,1-2H3.
What are the key properties of [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone?
[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 455.41 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 58210786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).