[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone

C20H20Cl2F2N2O3S — CID 58211070

IUPAC[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone
SMILESCC(F)(F)C1CCN(C(=O)c2cccc(CS(=O)(=O)c3c(Cl)cccc3Cl)n2)CC1
InChIInChI=1S/C20H20Cl2F2N2O3S/c1-20(23,24)13-8-10-26(11-9-13)19(27)17-7-2-4-14(25-17)12-30(28,29)18-15(21)5-3-6-16(18)22/h2-7,13H,8-12H2,1H3
InChIKeyTYSHPBGEYUWKNR-UHFFFAOYSA-N
MW477.36 g/mol
LogP4.87
Rot. Bonds5

About [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone

[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone (PubChem CID 58211070) has the molecular formula C20H20Cl2F2N2O3S and a molecular weight of 477.36 g/mol. Its IUPAC name is [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone
PubChem CID58211070
Molecular FormulaC20H20Cl2F2N2O3S
Molecular Weight477.36 g/mol
Exact Mass476.05
IUPAC Name[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone
SMILESCC(F)(F)C1CCN(C(=O)c2cccc(CS(=O)(=O)c3c(Cl)cccc3Cl)n2)CC1
InChIInChI=1S/C20H20Cl2F2N2O3S/c1-20(23,24)13-8-10-26(11-9-13)19(27)17-7-2-4-14(25-17)12-30(28,29)18-15(21)5-3-6-16(18)22/h2-7,13H,8-12H2,1H3
InChIKeyTYSHPBGEYUWKNR-UHFFFAOYSA-N
XLogP4.87
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.36
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 58211188
azocan-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone
CID 58210677
azepan-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone
CID 58211013
azocan-1-yl-[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]methanone
CID 58211502
[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 58211024
[6-[[(2-chloro-6-methylphenyl)-methylidene-oxo-λ6-sulfanyl]methyl]-2-pyridinyl]-piperidin-1-ylmethanone
CID 143311261
[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 58211189
[6-[(3-methoxyphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211537
(3,3-dimethylpiperidin-1-yl)-[6-[(2,4,5-trichlorophenyl)sulfonylmethyl]-2-pyridinyl]methanone
CID 58211317
(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]methanone
CID 58210568
azepan-1-yl-[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]methanone
CID 11990096
[5-[(2,6-dichlorophenyl)sulfanylmethyl]-3-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone
CID 58211000

Frequently Asked Questions

What is the IUPAC name of [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone (CID 58211070) is [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone is CC(F)(F)C1CCN(C(=O)c2cccc(CS(=O)(=O)c3c(Cl)cccc3Cl)n2)CC1.
What is the InChIKey of [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone?
The InChIKey is TYSHPBGEYUWKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2F2N2O3S/c1-20(23,24)13-8-10-26(11-9-13)19(27)17-7-2-4-14(25-17)12-30(28,29)18-15(21)5-3-6-16(18)22/h2-7,13H,8-12H2,1H3.
What are the key properties of [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone?
[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone has a molecular weight of 477.36 g/mol, XLogP of 4.87, 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]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 58211070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).