1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)phenoxy]piperidine

C21H20FNO4S — CID 24733672

IUPAC1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)phenoxy]piperidine
SMILESO=S(=O)(c1cccc(F)c1)N1CCC(Oc2cccc(-c3ccco3)c2)CC1
InChIInChI=1S/C21H20FNO4S/c22-17-5-2-7-20(15-17)28(24,25)23-11-9-18(10-12-23)27-19-6-1-4-16(14-19)21-8-3-13-26-21/h1-8,13-15,18H,9-12H2
InChIKeyGAOLRGHLMBZTAY-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.32
Rot. Bonds5

About 1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)phenoxy]piperidine

1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)phenoxy]piperidine (PubChem CID 24733672) has the molecular formula C21H20FNO4S and a molecular weight of 401.46 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)phenoxy]piperidine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)phenoxy]piperidine
PubChem CID24733672
Molecular FormulaC21H20FNO4S
Molecular Weight401.46 g/mol
Exact Mass401.11
IUPAC Name1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)phenoxy]piperidine
SMILESO=S(=O)(c1cccc(F)c1)N1CCC(Oc2cccc(-c3ccco3)c2)CC1
InChIInChI=1S/C21H20FNO4S/c22-17-5-2-7-20(15-17)28(24,25)23-11-9-18(10-12-23)27-19-6-1-4-16(14-19)21-8-3-13-26-21/h1-8,13-15,18H,9-12H2
InChIKeyGAOLRGHLMBZTAY-UHFFFAOYSA-N
XLogP4.32
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)phenoxy]piperidine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)phenoxy]piperidine (CID 24733672) is 1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)phenoxy]piperidine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)phenoxy]piperidine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)phenoxy]piperidine is O=S(=O)(c1cccc(F)c1)N1CCC(Oc2cccc(-c3ccco3)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)phenoxy]piperidine?
The InChIKey is GAOLRGHLMBZTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4S/c22-17-5-2-7-20(15-17)28(24,25)23-11-9-18(10-12-23)27-19-6-1-4-16(14-19)21-8-3-13-26-21/h1-8,13-15,18H,9-12H2.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)phenoxy]piperidine?
1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)phenoxy]piperidine has a molecular weight of 401.46 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-4-[3-(furan-2-yl)phenoxy]piperidine is sourced from PubChem (CID 24733672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).