[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone

C21H24Cl2N2O3S — CID 58210554

IUPAC[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone
SMILESCCC1CCC(C)N(C(=O)c2cccc(CS(=O)(=O)c3c(Cl)cccc3Cl)n2)C1
InChIInChI=1S/C21H24Cl2N2O3S/c1-3-15-11-10-14(2)25(12-15)21(26)19-9-4-6-16(24-19)13-29(27,28)20-17(22)7-5-8-18(20)23/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyOKNKVIHFRAJZJO-UHFFFAOYSA-N
MW455.41 g/mol
LogP5.01
Rot. Bonds5

About [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone

[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone (PubChem CID 58210554) has the molecular formula C21H24Cl2N2O3S and a molecular weight of 455.41 g/mol. Its IUPAC name is [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone
PubChem CID58210554
Molecular FormulaC21H24Cl2N2O3S
Molecular Weight455.41 g/mol
Exact Mass454.09
IUPAC Name[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone
SMILESCCC1CCC(C)N(C(=O)c2cccc(CS(=O)(=O)c3c(Cl)cccc3Cl)n2)C1
InChIInChI=1S/C21H24Cl2N2O3S/c1-3-15-11-10-14(2)25(12-15)21(26)19-9-4-6-16(24-19)13-29(27,28)20-17(22)7-5-8-18(20)23/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyOKNKVIHFRAJZJO-UHFFFAOYSA-N
XLogP5.01
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 ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

Pyridine amide, 8
CID 44236983
Pyridine amide, 16
CID 44236984
Pyridine amide, 17
CID 44236985
Pyridine amide, 6
CID 44236995
Pyridine amide, 11
CID 44236997
Pyridine amide, 18
CID 44236986
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-[(2,6-Dichlorophenyl)sulfanylmethyl]pyridin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 11989980
6-[(2,6-dichlorophenyl)sulfanylmethyl]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 11990103
[6-[(4-Chlorophenylsulfonyl)(2,5-difluorophenyl)methyl]pyridin-2-yl](4-methylpiperazin-1-yl)methanone
CID 23114786

Frequently Asked Questions

What is the IUPAC name of [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone (CID 58210554) is [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone is CCC1CCC(C)N(C(=O)c2cccc(CS(=O)(=O)c3c(Cl)cccc3Cl)n2)C1.
What is the InChIKey of [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone?
The InChIKey is OKNKVIHFRAJZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O3S/c1-3-15-11-10-14(2)25(12-15)21(26)19-9-4-6-16(24-19)13-29(27,28)20-17(22)7-5-8-18(20)23/h4-9,14-15H,3,10-13H2,1-2H3.
What are the key properties of [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone?
[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone has a molecular weight of 455.41 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 58210554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).