2-[2-(4-fluorophenyl)-2-oxoethyl]benzenesulfonamide

C14H12FNO3S — CID 22246250

IUPAC2-[2-(4-fluorophenyl)-2-oxoethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1CC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H12FNO3S/c15-12-7-5-10(6-8-12)13(17)9-11-3-1-2-4-14(11)20(16,18)19/h1-8H,9H2,(H2,16,18,19)
InChIKeyRLPUHHFUFBEWOD-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.90
Rot. Bonds4

About 2-[2-(4-fluorophenyl)-2-oxoethyl]benzenesulfonamide

2-[2-(4-fluorophenyl)-2-oxoethyl]benzenesulfonamide (PubChem CID 22246250) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-2-oxoethyl]benzenesulfonamide
PubChem CID22246250
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC Name2-[2-(4-fluorophenyl)-2-oxoethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1CC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H12FNO3S/c15-12-7-5-10(6-8-12)13(17)9-11-3-1-2-4-14(11)20(16,18)19/h1-8H,9H2,(H2,16,18,19)
InChIKeyRLPUHHFUFBEWOD-UHFFFAOYSA-N
XLogP1.90
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-fluorophenyl)-2-oxoethyl]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-[2-(2-sulfamoylphenyl)acetyl]benzoic acid
CID 152904860
2-[2-(4-fluorophenyl)-2-oxoethyl]benzonitrile
CID 122390947
2-(2-bromophenyl)sulfonyl-1-(4-fluorophenyl)ethanone
CID 64642384
2-(5-fluoro-2-sulfamoylphenyl)acetic acid
CID 141356629
2-benzylbenzenesulfonamide;methane
CID 175312349
(2-fluorophenyl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78760383
1-(4-fluorophenyl)-3-(2-methylphenyl)sulfonylpropan-1-one
CID 64635414
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
4-[2-(4-fluorophenyl)ethynyl]-N-(2-sulfamoylphenyl)benzamide
CID 12018921
2-(2-hydroxyphenyl)-1-(4-hydroxyphenyl)ethanone
CID 19801522
4-fluoro-N-(2-methyl-3-sulfamoylphenyl)benzamide
CID 61036384
2-[2-[4-(4-fluorophenyl)phenyl]sulfonylphenyl]acetic acid
CID 71602248

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-2-oxoethyl]benzenesulfonamide (CID 22246250) is 2-[2-(4-fluorophenyl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-2-oxoethyl]benzenesulfonamide is NS(=O)(=O)c1ccccc1CC(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is RLPUHHFUFBEWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3S/c15-12-7-5-10(6-8-12)13(17)9-11-3-1-2-4-14(11)20(16,18)19/h1-8H,9H2,(H2,16,18,19).
What are the key properties of 2-[2-(4-fluorophenyl)-2-oxoethyl]benzenesulfonamide?
2-[2-(4-fluorophenyl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 293.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 22246250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).