1-(2-chloro-4-fluorophenyl)-N-(2-methylsulfonylethyl)ethanamine

C11H15ClFNO2S — CID 54932221

IUPAC1-(2-chloro-4-fluorophenyl)-N-(2-methylsulfonylethyl)ethanamine
SMILESCC(NCCS(C)(=O)=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFNO2S/c1-8(14-5-6-17(2,15)16)10-4-3-9(13)7-11(10)12/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyLHJLCDAVSRGJML-UHFFFAOYSA-N
MW279.76 g/mol
LogP2.17
Rot. Bonds5

About 1-(2-chloro-4-fluorophenyl)-N-(2-methylsulfonylethyl)ethanamine

1-(2-chloro-4-fluorophenyl)-N-(2-methylsulfonylethyl)ethanamine (PubChem CID 54932221) has the molecular formula C11H15ClFNO2S and a molecular weight of 279.76 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-(2-methylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-(2-methylsulfonylethyl)ethanamine
PubChem CID54932221
Molecular FormulaC11H15ClFNO2S
Molecular Weight279.76 g/mol
Exact Mass279.05
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-(2-methylsulfonylethyl)ethanamine
SMILESCC(NCCS(C)(=O)=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H15ClFNO2S/c1-8(14-5-6-17(2,15)16)10-4-3-9(13)7-11(10)12/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyLHJLCDAVSRGJML-UHFFFAOYSA-N
XLogP2.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.76
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-(2-methylsulfonylethyl)ethanamine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-(2-methylsulfonylethyl)ethanamine (CID 54932221) is 1-(2-chloro-4-fluorophenyl)-N-(2-methylsulfonylethyl)ethanamine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-(2-methylsulfonylethyl)ethanamine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-(2-methylsulfonylethyl)ethanamine is CC(NCCS(C)(=O)=O)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-(2-methylsulfonylethyl)ethanamine?
The InChIKey is LHJLCDAVSRGJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO2S/c1-8(14-5-6-17(2,15)16)10-4-3-9(13)7-11(10)12/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-(2-methylsulfonylethyl)ethanamine?
1-(2-chloro-4-fluorophenyl)-N-(2-methylsulfonylethyl)ethanamine has a molecular weight of 279.76 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-(2-methylsulfonylethyl)ethanamine is sourced from PubChem (CID 54932221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).