[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-fluoro-4-methylpiperidin-1-yl)methanone

C19H19Cl2FN2O3S — CID 58211526

IUPAC[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-fluoro-4-methylpiperidin-1-yl)methanone
SMILESCC1(F)CCN(C(=O)c2cccc(CS(=O)(=O)c3cccc(Cl)c3Cl)n2)CC1
InChIInChI=1S/C19H19Cl2FN2O3S/c1-19(22)8-10-24(11-9-19)18(25)15-6-2-4-13(23-15)12-28(26,27)16-7-3-5-14(20)17(16)21/h2-7H,8-12H2,1H3
InChIKeyDCRWMIUGNBSXTM-UHFFFAOYSA-N
MW445.34 g/mol
LogP4.33
Rot. Bonds4

About [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-fluoro-4-methylpiperidin-1-yl)methanone

[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-fluoro-4-methylpiperidin-1-yl)methanone (PubChem CID 58211526) has the molecular formula C19H19Cl2FN2O3S and a molecular weight of 445.34 g/mol. Its IUPAC name is [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-fluoro-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-fluoro-4-methylpiperidin-1-yl)methanone
PubChem CID58211526
Molecular FormulaC19H19Cl2FN2O3S
Molecular Weight445.34 g/mol
Exact Mass444.05
IUPAC Name[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-fluoro-4-methylpiperidin-1-yl)methanone
SMILESCC1(F)CCN(C(=O)c2cccc(CS(=O)(=O)c3cccc(Cl)c3Cl)n2)CC1
InChIInChI=1S/C19H19Cl2FN2O3S/c1-19(22)8-10-24(11-9-19)18(25)15-6-2-4-13(23-15)12-28(26,27)16-7-3-5-14(20)17(16)21/h2-7H,8-12H2,1H3
InChIKeyDCRWMIUGNBSXTM-UHFFFAOYSA-N
XLogP4.33
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-fluoro-4-methylpiperidin-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, 11
CID 44236997
Pyridine amide, 19
CID 44236987
Pyridine amide, 14
CID 44237000
6-[(2,3-dichlorophenyl)sulfanylmethyl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 11988779
[6-[(4-Fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 11988911
[6-[(2,6-Dichlorophenyl)sulfanylmethyl]pyridin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 11989980
[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

Frequently Asked Questions

What is the IUPAC name of [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-fluoro-4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-fluoro-4-methylpiperidin-1-yl)methanone (CID 58211526) is [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-fluoro-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-fluoro-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-fluoro-4-methylpiperidin-1-yl)methanone is CC1(F)CCN(C(=O)c2cccc(CS(=O)(=O)c3cccc(Cl)c3Cl)n2)CC1.
What is the InChIKey of [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-fluoro-4-methylpiperidin-1-yl)methanone?
The InChIKey is DCRWMIUGNBSXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O3S/c1-19(22)8-10-24(11-9-19)18(25)15-6-2-4-13(23-15)12-28(26,27)16-7-3-5-14(20)17(16)21/h2-7H,8-12H2,1H3.
What are the key properties of [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-fluoro-4-methylpiperidin-1-yl)methanone?
[6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-fluoro-4-methylpiperidin-1-yl)methanone has a molecular weight of 445.34 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2,3-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(4-fluoro-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 58211526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).