[2-(4-fluorophenyl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate

C17H16FNO5S — CID 9106417

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
SMILESO=C(CCNS(=O)(=O)c1ccccc1)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16FNO5S/c18-14-8-6-13(7-9-14)16(20)12-24-17(21)10-11-19-25(22,23)15-4-2-1-3-5-15/h1-9,19H,10-12H2
InChIKeyRHIQXSYRNMULCY-UHFFFAOYSA-N
MW365.38 g/mol
LogP1.92
Rot. Bonds8

About [2-(4-fluorophenyl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate

[2-(4-fluorophenyl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate (PubChem CID 9106417) has the molecular formula C17H16FNO5S and a molecular weight of 365.38 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
PubChem CID9106417
Molecular FormulaC17H16FNO5S
Molecular Weight365.38 g/mol
Exact Mass365.07
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
SMILESO=C(CCNS(=O)(=O)c1ccccc1)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16FNO5S/c18-14-8-6-13(7-9-14)16(20)12-24-17(21)10-11-19-25(22,23)15-4-2-1-3-5-15/h1-9,19H,10-12H2
InChIKeyRHIQXSYRNMULCY-UHFFFAOYSA-N
XLogP1.92
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate (CID 9106417) is [2-(4-fluorophenyl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate is O=C(CCNS(=O)(=O)c1ccccc1)OCC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate?
The InChIKey is RHIQXSYRNMULCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO5S/c18-14-8-6-13(7-9-14)16(20)12-24-17(21)10-11-19-25(22,23)15-4-2-1-3-5-15/h1-9,19H,10-12H2.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate?
[2-(4-fluorophenyl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate has a molecular weight of 365.38 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate is sourced from PubChem (CID 9106417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).