2-[4-(3,4-difluorophenyl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide

C14H18F2N2O3S — CID 84586110

IUPAC2-[4-(3,4-difluorophenyl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide
SMILESCNS(=O)(=O)CC(=O)N1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H18F2N2O3S/c1-17-22(20,21)9-14(19)18-6-4-10(5-7-18)11-2-3-12(15)13(16)8-11/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeyXLKIKYUBCOXZEA-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.22
Rot. Bonds4

About 2-[4-(3,4-difluorophenyl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide

2-[4-(3,4-difluorophenyl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide (PubChem CID 84586110) has the molecular formula C14H18F2N2O3S and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide.

Molecular Properties

Compound Name2-[4-(3,4-difluorophenyl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide
PubChem CID84586110
Molecular FormulaC14H18F2N2O3S
Molecular Weight332.37 g/mol
Exact Mass332.10
IUPAC Name2-[4-(3,4-difluorophenyl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide
SMILESCNS(=O)(=O)CC(=O)N1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H18F2N2O3S/c1-17-22(20,21)9-14(19)18-6-4-10(5-7-18)11-2-3-12(15)13(16)8-11/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeyXLKIKYUBCOXZEA-UHFFFAOYSA-N
XLogP1.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorophenyl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide?
The IUPAC name of 2-[4-(3,4-difluorophenyl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide (CID 84586110) is 2-[4-(3,4-difluorophenyl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide.
What is the SMILES notation for 2-[4-(3,4-difluorophenyl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide?
The canonical SMILES for 2-[4-(3,4-difluorophenyl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide is CNS(=O)(=O)CC(=O)N1CCC(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 2-[4-(3,4-difluorophenyl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide?
The InChIKey is XLKIKYUBCOXZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3S/c1-17-22(20,21)9-14(19)18-6-4-10(5-7-18)11-2-3-12(15)13(16)8-11/h2-3,8,10,17H,4-7,9H2,1H3.
What are the key properties of 2-[4-(3,4-difluorophenyl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide?
2-[4-(3,4-difluorophenyl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide has a molecular weight of 332.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorophenyl)piperidin-1-yl]-N-methyl-2-oxoethanesulfonamide is sourced from PubChem (CID 84586110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).