1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone

C11H14FNO4S — CID 117439986

IUPAC1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(F)c(S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C11H14FNO4S/c1-13-6-9(14)7-4-8(12)11(18(3,15)16)10(5-7)17-2/h4-5,13H,6H2,1-3H3
InChIKeyULVKPYCJEJFUJB-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.64
Rot. Bonds5

About 1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone

1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone (PubChem CID 117439986) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone
PubChem CID117439986
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Name1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(F)c(S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C11H14FNO4S/c1-13-6-9(14)7-4-8(12)11(18(3,15)16)10(5-7)17-2/h4-5,13H,6H2,1-3H3
InChIKeyULVKPYCJEJFUJB-UHFFFAOYSA-N
XLogP0.64
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,6-dimethoxy-2-methylsulfonylphenyl)-2-(methylamino)ethanone
CID 117463599
1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone
CID 117319719
1-(4-chloro-3-methoxy-5-methylphenyl)-2-(methylamino)ethanone
CID 84791733
1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117464842
1-(3,4-difluoro-5-methoxyphenyl)-2-methoxyethanone
CID 146011423
1-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-2-(methylamino)ethanone
CID 117471718
1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone
CID 117377818
1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117410057
2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-hydroxyacetic acid
CID 117445755
O-[(3-fluoro-5-methoxy-4-methylsulfonylphenyl)methyl]hydroxylamine
CID 117375508
1-(3-fluoro-4-methoxyphenyl)-2-(prop-2-ynylamino)ethanone
CID 116589430
1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone
CID 117381240

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone (CID 117439986) is 1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(F)c(S(C)(=O)=O)c(OC)c1.
What is the InChIKey of 1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone?
The InChIKey is ULVKPYCJEJFUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S/c1-13-6-9(14)7-4-8(12)11(18(3,15)16)10(5-7)17-2/h4-5,13H,6H2,1-3H3.
What are the key properties of 1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone?
1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone has a molecular weight of 275.30 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 117439986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).