1-[3-(2,4-difluorophenoxy)phenyl]sulfonylpiperidine

C17H17F2NO3S — CID 91281349

IUPAC1-[3-(2,4-difluorophenoxy)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1cccc(Oc2ccc(F)cc2F)c1)N1CCCCC1
InChIInChI=1S/C17H17F2NO3S/c18-13-7-8-17(16(19)11-13)23-14-5-4-6-15(12-14)24(21,22)20-9-2-1-3-10-20/h4-8,11-12H,1-3,9-10H2
InChIKeyCAXLUTBTDRWDNH-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.93
Rot. Bonds4

About 1-[3-(2,4-difluorophenoxy)phenyl]sulfonylpiperidine

1-[3-(2,4-difluorophenoxy)phenyl]sulfonylpiperidine (PubChem CID 91281349) has the molecular formula C17H17F2NO3S and a molecular weight of 353.39 g/mol. Its IUPAC name is 1-[3-(2,4-difluorophenoxy)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[3-(2,4-difluorophenoxy)phenyl]sulfonylpiperidine
PubChem CID91281349
Molecular FormulaC17H17F2NO3S
Molecular Weight353.39 g/mol
Exact Mass353.09
IUPAC Name1-[3-(2,4-difluorophenoxy)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1cccc(Oc2ccc(F)cc2F)c1)N1CCCCC1
InChIInChI=1S/C17H17F2NO3S/c18-13-7-8-17(16(19)11-13)23-14-5-4-6-15(12-14)24(21,22)20-9-2-1-3-10-20/h4-8,11-12H,1-3,9-10H2
InChIKeyCAXLUTBTDRWDNH-UHFFFAOYSA-N
XLogP3.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-difluorophenoxy)phenyl]sulfonylpiperidine?
The IUPAC name of 1-[3-(2,4-difluorophenoxy)phenyl]sulfonylpiperidine (CID 91281349) is 1-[3-(2,4-difluorophenoxy)phenyl]sulfonylpiperidine.
What is the SMILES notation for 1-[3-(2,4-difluorophenoxy)phenyl]sulfonylpiperidine?
The canonical SMILES for 1-[3-(2,4-difluorophenoxy)phenyl]sulfonylpiperidine is O=S(=O)(c1cccc(Oc2ccc(F)cc2F)c1)N1CCCCC1.
What is the InChIKey of 1-[3-(2,4-difluorophenoxy)phenyl]sulfonylpiperidine?
The InChIKey is CAXLUTBTDRWDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO3S/c18-13-7-8-17(16(19)11-13)23-14-5-4-6-15(12-14)24(21,22)20-9-2-1-3-10-20/h4-8,11-12H,1-3,9-10H2.
What are the key properties of 1-[3-(2,4-difluorophenoxy)phenyl]sulfonylpiperidine?
1-[3-(2,4-difluorophenoxy)phenyl]sulfonylpiperidine has a molecular weight of 353.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-difluorophenoxy)phenyl]sulfonylpiperidine is sourced from PubChem (CID 91281349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).