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

C15H14FNO3S — CID 102007898

IUPAC2-(4-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)CNc2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNO3S/c1-21(19,20)14-8-2-11(3-9-14)15(18)10-17-13-6-4-12(16)5-7-13/h2-9,17H,10H2,1H3
InChIKeyZBGLSWVYCMRFNI-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.52
Rot. Bonds5

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

2-(4-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone (PubChem CID 102007898) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone
PubChem CID102007898
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Name2-(4-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)CNc2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNO3S/c1-21(19,20)14-8-2-11(3-9-14)15(18)10-17-13-6-4-12(16)5-7-13/h2-9,17H,10H2,1H3
InChIKeyZBGLSWVYCMRFNI-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

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Related Compounds

2-(3-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone
CID 102007903
2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824126
1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110825380
2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone
CID 51072855
1-(4-fluorophenyl)-2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110825400
3-(4-methylsulfonylphenyl)-3-oxopropanoic acid
CID 116917988
2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736591
2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11370314
N-(2-bromoprop-2-enyl)-4-methylsulfonylaniline
CID 60871653
N-(ethylcarbamoyl)-4-fluoro-N-(4-methylsulfonylphenyl)benzamide
CID 10883011
2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone
CID 170896030
[2-(4-methylsulfonylphenyl)-2-oxoethyl] 2-(4-fluorophenoxy)-2-methylpropanoate
CID 9100954

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-(4-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone (CID 102007898) is 2-(4-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(4-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(4-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone is CS(=O)(=O)c1ccc(C(=O)CNc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone?
The InChIKey is ZBGLSWVYCMRFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3S/c1-21(19,20)14-8-2-11(3-9-14)15(18)10-17-13-6-4-12(16)5-7-13/h2-9,17H,10H2,1H3.
What are the key properties of 2-(4-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone?
2-(4-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-(4-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 102007898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).