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

C19H19F4NO2S — CID 11418182

IUPAC1-[2-(2,4-difluorophenyl)ethyl]-4-fluoro-4-(4-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C19H19F4NO2S/c20-15-3-5-17(6-4-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-2-16(21)13-18(14)22/h1-6,13H,7-12H2
InChIKeyVDURQHWFSXZAER-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.88
Rot. Bonds5

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

1-[2-(2,4-difluorophenyl)ethyl]-4-fluoro-4-(4-fluorophenyl)sulfonylpiperidine (PubChem CID 11418182) has the molecular formula C19H19F4NO2S and a molecular weight of 401.43 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)ethyl]-4-fluoro-4-(4-fluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)ethyl]-4-fluoro-4-(4-fluorophenyl)sulfonylpiperidine
PubChem CID11418182
Molecular FormulaC19H19F4NO2S
Molecular Weight401.43 g/mol
Exact Mass401.11
IUPAC Name1-[2-(2,4-difluorophenyl)ethyl]-4-fluoro-4-(4-fluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C19H19F4NO2S/c20-15-3-5-17(6-4-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-2-16(21)13-18(14)22/h1-6,13H,7-12H2
InChIKeyVDURQHWFSXZAER-UHFFFAOYSA-N
XLogP3.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ordopidine
CID 11701939
4-((1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl)sulfonyl)benzonitrile
CID 9908431
1-(2,4-Difluorophenethyl)-4-(phenylsulfonyl)piperidine
CID 9885465
1-(2,4-Difluorophenethyl)-4-(4-fluorophenylsulfonyl)piperidine
CID 10861900
1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(3-fluoro-benzenesulfonyl)-piperidine
CID 44387732
1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(2-fluoro-benzenesulfonyl)-piperidine
CID 44387733
4-Benzenesulfonyl-1-[2-(2,4-difluoro-phenyl)-ethyl]-4-fluoro-piperidine
CID 44387746
4-(4-Chloro-benzenesulfonyl)-1-[2-(2,4-difluoro-phenyl)-ethyl]-4-fluoro-piperidine
CID 44387780
4-Benzenesulfonyl-1-(3-phenyl-propyl)-piperidine
CID 10871642
4-Benzenesulfonyl-1-phenethyl-piperidine
CID 10991121
3-[[1-(2-(2,4-Difluorophenyl)ethyl)-4-piperidinyl]sulfonyl]benzonitrile
CID 10927262
1'-[2-(2,4-Difluorophenyl)ethyl]spiro[3,4-dihydrothiochromene-2,4'-piperidine] 1,1-dioxide
CID 10971209

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)ethyl]-4-fluoro-4-(4-fluorophenyl)sulfonylpiperidine?
The IUPAC name of 1-[2-(2,4-difluorophenyl)ethyl]-4-fluoro-4-(4-fluorophenyl)sulfonylpiperidine (CID 11418182) is 1-[2-(2,4-difluorophenyl)ethyl]-4-fluoro-4-(4-fluorophenyl)sulfonylpiperidine.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)ethyl]-4-fluoro-4-(4-fluorophenyl)sulfonylpiperidine?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)ethyl]-4-fluoro-4-(4-fluorophenyl)sulfonylpiperidine is O=S(=O)(c1ccc(F)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)ethyl]-4-fluoro-4-(4-fluorophenyl)sulfonylpiperidine?
The InChIKey is VDURQHWFSXZAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4NO2S/c20-15-3-5-17(6-4-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-2-16(21)13-18(14)22/h1-6,13H,7-12H2.
What are the key properties of 1-[2-(2,4-difluorophenyl)ethyl]-4-fluoro-4-(4-fluorophenyl)sulfonylpiperidine?
1-[2-(2,4-difluorophenyl)ethyl]-4-fluoro-4-(4-fluorophenyl)sulfonylpiperidine has a molecular weight of 401.43 g/mol, XLogP of 3.88, 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-fluoro-4-(4-fluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 11418182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).