4-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide

C17H24F2N2O3S — CID 56867235

IUPAC4-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide
SMILESNS(=O)(=O)CCCC(=O)N1CCCC(CCc2c(F)cccc2F)C1
InChIInChI=1S/C17H24F2N2O3S/c18-15-5-1-6-16(19)14(15)9-8-13-4-2-10-21(12-13)17(22)7-3-11-25(20,23)24/h1,5-6,13H,2-4,7-12H2,(H2,20,23,24)
InChIKeyZGHAQAMGIXDPDG-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.20
Rot. Bonds7

About 4-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide

4-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide (PubChem CID 56867235) has the molecular formula C17H24F2N2O3S and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide.

Molecular Properties

Compound Name4-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide
PubChem CID56867235
Molecular FormulaC17H24F2N2O3S
Molecular Weight374.45 g/mol
Exact Mass374.15
IUPAC Name4-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide
SMILESNS(=O)(=O)CCCC(=O)N1CCCC(CCc2c(F)cccc2F)C1
InChIInChI=1S/C17H24F2N2O3S/c18-15-5-1-6-16(19)14(15)9-8-13-4-2-10-21(12-13)17(22)7-3-11-25(20,23)24/h1,5-6,13H,2-4,7-12H2,(H2,20,23,24)
InChIKeyZGHAQAMGIXDPDG-UHFFFAOYSA-N
XLogP2.20
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide?
The IUPAC name of 4-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide (CID 56867235) is 4-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide.
What is the SMILES notation for 4-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide?
The canonical SMILES for 4-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide is NS(=O)(=O)CCCC(=O)N1CCCC(CCc2c(F)cccc2F)C1.
What is the InChIKey of 4-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide?
The InChIKey is ZGHAQAMGIXDPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3S/c18-15-5-1-6-16(19)14(15)9-8-13-4-2-10-21(12-13)17(22)7-3-11-25(20,23)24/h1,5-6,13H,2-4,7-12H2,(H2,20,23,24).
What are the key properties of 4-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide?
4-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide has a molecular weight of 374.45 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide is sourced from PubChem (CID 56867235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).