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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95255063
2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 71835736
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 95101488
2-fluoro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564829
2,5-difluoro-N-(5-methylpiperidin-3-yl)benzenesulfonamide
CID 107585302
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761
2,5-difluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 42267664
N-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-2,5-difluorobenzenesulfonamide
CID 97083421
N-(3,4-dihydro-2H-thiochromen-4-yl)-2,5-difluorobenzenesulfonamide
CID 17486240
N-(2-chlorocyclohexyl)-2,5-difluorobenzenesulfonamide
CID 65032633
N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-methylbenzamide
CID 136522257
N-[1-(2-aminoethyl)piperidin-4-yl]-2,5-difluorobenzenesulfonamide
CID 63632016

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).