1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone

C12H16FNO3S — CID 79850839

IUPAC1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
SMILESCN(CCS(C)(=O)=O)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO3S/c1-14(7-8-18(2,16)17)9-12(15)10-3-5-11(13)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyPINWMRVTHKFBGX-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.98
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone

1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone (PubChem CID 79850839) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
PubChem CID79850839
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
SMILESCN(CCS(C)(=O)=O)CC(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO3S/c1-14(7-8-18(2,16)17)9-12(15)10-3-5-11(13)6-4-10/h3-6H,7-9H2,1-2H3
InChIKeyPINWMRVTHKFBGX-UHFFFAOYSA-N
XLogP0.98
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-one
CID 79849841
1-(3,4-dimethylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850026
2-[2-ethoxyethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 81056894
1-(4-fluorophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60891207
1-(3-methoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79849561
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
1-(4-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650449
2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 60984494
2-[(4-fluorophenyl)methyl-methylamino]-1-(4-methoxyphenyl)ethanone
CID 60650628
1-(2,4-dihydroxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850569
2-[methyl(2-methylsulfonylethyl)amino]acetic acid
CID 60915939
2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone
CID 62035174

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone (CID 79850839) is 1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone is CN(CCS(C)(=O)=O)CC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone?
The InChIKey is PINWMRVTHKFBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-14(7-8-18(2,16)17)9-12(15)10-3-5-11(13)6-4-10/h3-6H,7-9H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone?
1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone has a molecular weight of 273.33 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone is sourced from PubChem (CID 79850839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).