2,5-difluoro-N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]benzenesulfonamide

C15H11F3N2O3S — CID 75453076

IUPAC2,5-difluoro-N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]benzenesulfonamide
SMILESO=C1C(NS(=O)(=O)c2cc(F)ccc2F)CN1c1ccc(F)cc1
InChIInChI=1S/C15H11F3N2O3S/c16-9-1-4-11(5-2-9)20-8-13(15(20)21)19-24(22,23)14-7-10(17)3-6-12(14)18/h1-7,13,19H,8H2
InChIKeyPSVYJTAWGXVRPE-UHFFFAOYSA-N
MW356.33 g/mol
LogP1.80
Rot. Bonds4

About 2,5-difluoro-N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]benzenesulfonamide

2,5-difluoro-N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]benzenesulfonamide (PubChem CID 75453076) has the molecular formula C15H11F3N2O3S and a molecular weight of 356.33 g/mol. Its IUPAC name is 2,5-difluoro-N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]benzenesulfonamide
PubChem CID75453076
Molecular FormulaC15H11F3N2O3S
Molecular Weight356.33 g/mol
Exact Mass356.04
IUPAC Name2,5-difluoro-N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]benzenesulfonamide
SMILESO=C1C(NS(=O)(=O)c2cc(F)ccc2F)CN1c1ccc(F)cc1
InChIInChI=1S/C15H11F3N2O3S/c16-9-1-4-11(5-2-9)20-8-13(15(20)21)19-24(22,23)14-7-10(17)3-6-12(14)18/h1-7,13,19H,8H2
InChIKeyPSVYJTAWGXVRPE-UHFFFAOYSA-N
XLogP1.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]benzenesulfonamide (CID 75453076) is 2,5-difluoro-N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]benzenesulfonamide is O=C1C(NS(=O)(=O)c2cc(F)ccc2F)CN1c1ccc(F)cc1.
What is the InChIKey of 2,5-difluoro-N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]benzenesulfonamide?
The InChIKey is PSVYJTAWGXVRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O3S/c16-9-1-4-11(5-2-9)20-8-13(15(20)21)19-24(22,23)14-7-10(17)3-6-12(14)18/h1-7,13,19H,8H2.
What are the key properties of 2,5-difluoro-N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]benzenesulfonamide?
2,5-difluoro-N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]benzenesulfonamide has a molecular weight of 356.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 75453076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).