2-(3-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone

C15H14FNO3S — CID 102007903

IUPAC2-(3-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)CNc2cccc(F)c2)cc1
InChIInChI=1S/C15H14FNO3S/c1-21(19,20)14-7-5-11(6-8-14)15(18)10-17-13-4-2-3-12(16)9-13/h2-9,17H,10H2,1H3
InChIKeyRUVHBTLSYHSOTQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.52
Rot. Bonds5

About 2-(3-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone

2-(3-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone (PubChem CID 102007903) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone
PubChem CID102007903
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Name2-(3-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)CNc2cccc(F)c2)cc1
InChIInChI=1S/C15H14FNO3S/c1-21(19,20)14-7-5-11(6-8-14)15(18)10-17-13-4-2-3-12(16)9-13/h2-9,17H,10H2,1H3
InChIKeyRUVHBTLSYHSOTQ-UHFFFAOYSA-N
XLogP2.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone 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-(4-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone
CID 102007898
1-(3,4-difluorophenyl)-2-(3-fluoroanilino)ethanone
CID 82122507
1-(3-amino-4-methylphenyl)-2-(3-fluoroanilino)ethanone
CID 82483415
N-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771361
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoroanilino)ethanone
CID 82123612
1-(4-tert-butylphenyl)-3-(3-fluoroanilino)propan-1-one
CID 17138754
2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736591
2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11370314
4-[2-(3-chloroanilino)acetyl]-N,N-diethylbenzenesulfonamide
CID 110823956
N,N-diethyl-4-[2-(3-iodoanilino)acetyl]benzenesulfonamide
CID 110823994
N-(5-fluoro-2-methylphenyl)-2-(3-methylsulfonylanilino)acetamide
CID 18125562
S-[2-[4-[(3-fluorophenyl)sulfamoyl]phenyl]-2-oxoethyl] ethanethioate
CID 11689172

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-(3-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone (CID 102007903) is 2-(3-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(3-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(3-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone is CS(=O)(=O)c1ccc(C(=O)CNc2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone?
The InChIKey is RUVHBTLSYHSOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-21(19,20)14-7-5-11(6-8-14)15(18)10-17-13-4-2-3-12(16)9-13/h2-9,17H,10H2,1H3.
What are the key properties of 2-(3-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone?
2-(3-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone has a molecular weight of 307.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 102007903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).