[2-(4-fluorophenyl)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate

C20H20FNO5S — CID 7806934

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C20H20FNO5S/c21-16-10-8-15(9-11-16)18(23)14-27-20(24)17-6-2-3-7-19(17)28(25,26)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-14H2
InChIKeyIGPSBHUUOYUKJW-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.04
Rot. Bonds6

About [2-(4-fluorophenyl)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate

[2-(4-fluorophenyl)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate (PubChem CID 7806934) has the molecular formula C20H20FNO5S and a molecular weight of 405.45 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
PubChem CID7806934
Molecular FormulaC20H20FNO5S
Molecular Weight405.45 g/mol
Exact Mass405.10
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
SMILESO=C(COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C20H20FNO5S/c21-16-10-8-15(9-11-16)18(23)14-27-20(24)17-6-2-3-7-19(17)28(25,26)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-14H2
InChIKeyIGPSBHUUOYUKJW-UHFFFAOYSA-N
XLogP3.04
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 30926889
[2-(4-fluorophenyl)-2-oxoethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoate
CID 42988770
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 42967136
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 2609049
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,3-dichlorobenzoate
CID 2645596
[2-(cyclopropylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806939
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806906
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 55311314
[2-(4-fluorophenyl)-2-oxoethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
CID 16514831
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26880642
[2-(3-methylbutylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 42470089
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-benzamidobenzoate
CID 30115703

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate (CID 7806934) is [2-(4-fluorophenyl)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate is O=C(COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
The InChIKey is IGPSBHUUOYUKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO5S/c21-16-10-8-15(9-11-16)18(23)14-27-20(24)17-6-2-3-7-19(17)28(25,26)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-14H2.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
[2-(4-fluorophenyl)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate has a molecular weight of 405.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 7806934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).