1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperidine

C19H20F3NO2S — CID 44511383

IUPAC1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc([18F])cc1)C1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C19H20F3NO2S/c20-15-3-5-17(6-4-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-2-16(21)13-19(14)22/h1-6,13,18H,7-12H2/i20-1
InChIKeyRFHWREWMZPGWCN-LRFGSCOBSA-N
MW382.44 g/mol
LogP3.58
Rot. Bonds5

About 1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperidine

1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperidine (PubChem CID 44511383) has the molecular formula C19H20F3NO2S and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperidine
PubChem CID44511383
Molecular FormulaC19H20F3NO2S
Molecular Weight382.44 g/mol
Exact Mass382.12
IUPAC Name1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc([18F])cc1)C1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C19H20F3NO2S/c20-15-3-5-17(6-4-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-2-16(21)13-19(14)22/h1-6,13,18H,7-12H2/i20-1
InChIKeyRFHWREWMZPGWCN-LRFGSCOBSA-N
XLogP3.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperidine?
The IUPAC name of 1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperidine (CID 44511383) is 1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperidine.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperidine?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperidine is O=S(=O)(c1ccc([18F])cc1)C1CCN(CCc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperidine?
The InChIKey is RFHWREWMZPGWCN-LRFGSCOBSA-N. The full InChI is InChI=1S/C19H20F3NO2S/c20-15-3-5-17(6-4-15)26(24,25)18-8-11-23(12-9-18)10-7-14-1-2-16(21)13-19(14)22/h1-6,13,18H,7-12H2/i20-1.
What are the key properties of 1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperidine?
1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperidine has a molecular weight of 382.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 44511383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).