2-(3,5-difluoro-4-methylsulfonylphenyl)ethanamine

C9H11F2NO2S — CID 117341937

IUPAC2-(3,5-difluoro-4-methylsulfonylphenyl)ethanamine
SMILESCS(=O)(=O)c1c(F)cc(CCN)cc1F
InChIInChI=1S/C9H11F2NO2S/c1-15(13,14)9-7(10)4-6(2-3-12)5-8(9)11/h4-5H,2-3,12H2,1H3
InChIKeyJLPZPVXARSICKD-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.87
Rot. Bonds3

About 2-(3,5-difluoro-4-methylsulfonylphenyl)ethanamine

2-(3,5-difluoro-4-methylsulfonylphenyl)ethanamine (PubChem CID 117341937) has the molecular formula C9H11F2NO2S and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluoro-4-methylsulfonylphenyl)ethanamine
PubChem CID117341937
Molecular FormulaC9H11F2NO2S
Molecular Weight235.25 g/mol
Exact Mass235.05
IUPAC Name2-(3,5-difluoro-4-methylsulfonylphenyl)ethanamine
SMILESCS(=O)(=O)c1c(F)cc(CCN)cc1F
InChIInChI=1S/C9H11F2NO2S/c1-15(13,14)9-7(10)4-6(2-3-12)5-8(9)11/h4-5H,2-3,12H2,1H3
InChIKeyJLPZPVXARSICKD-UHFFFAOYSA-N
XLogP0.87
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
CID 84785221
6-(2-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol
CID 117380582
2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine
CID 63818519
3-(3,5-difluoro-4-methylsulfonylphenyl)-2-methylpropanoic acid
CID 117445810
2-(4-ethylsulfanyl-3,5-difluorophenyl)ethanamine
CID 63835465
O-[(3-fluoro-5-methoxy-4-methylsulfonylphenyl)methyl]hydroxylamine
CID 117375508
3,5-difluoro-4-methylsulfonylbenzaldehyde
CID 11499527
2-(2,5-difluoro-4-methylsulfonylphenyl)ethanamine
CID 117341939
2-(4-methylsulfonylphenyl)ethanamine chloride
CID 20849935
(3-ethynyl-5-fluoro-4-methylsulfonylphenyl)methylhydrazine
CID 174577018
2-[3,5-difluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanamine
CID 65041442
2-[3,5-difluoro-4-(2-methylpropylsulfanyl)phenyl]ethanamine
CID 63818628

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-4-methylsulfonylphenyl)ethanamine?
The IUPAC name of 2-(3,5-difluoro-4-methylsulfonylphenyl)ethanamine (CID 117341937) is 2-(3,5-difluoro-4-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for 2-(3,5-difluoro-4-methylsulfonylphenyl)ethanamine?
The canonical SMILES for 2-(3,5-difluoro-4-methylsulfonylphenyl)ethanamine is CS(=O)(=O)c1c(F)cc(CCN)cc1F.
What is the InChIKey of 2-(3,5-difluoro-4-methylsulfonylphenyl)ethanamine?
The InChIKey is JLPZPVXARSICKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2S/c1-15(13,14)9-7(10)4-6(2-3-12)5-8(9)11/h4-5H,2-3,12H2,1H3.
What are the key properties of 2-(3,5-difluoro-4-methylsulfonylphenyl)ethanamine?
2-(3,5-difluoro-4-methylsulfonylphenyl)ethanamine has a molecular weight of 235.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 117341937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).