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

C12H17ClFNO2S — CID 103780933

IUPAC1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
SMILESCCS(=O)(=O)CCNC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C12H17ClFNO2S/c1-3-18(16,17)7-6-15-9(2)11-5-4-10(14)8-12(11)13/h4-5,8-9,15H,3,6-7H2,1-2H3
InChIKeyJGWVUOBKQLQLHH-UHFFFAOYSA-N
MW293.79 g/mol
LogP2.56
Rot. Bonds6

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

1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine (PubChem CID 103780933) has the molecular formula C12H17ClFNO2S and a molecular weight of 293.79 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
PubChem CID103780933
Molecular FormulaC12H17ClFNO2S
Molecular Weight293.79 g/mol
Exact Mass293.07
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
SMILESCCS(=O)(=O)CCNC(C)c1ccc(F)cc1Cl
InChIInChI=1S/C12H17ClFNO2S/c1-3-18(16,17)7-6-15-9(2)11-5-4-10(14)8-12(11)13/h4-5,8-9,15H,3,6-7H2,1-2H3
InChIKeyJGWVUOBKQLQLHH-UHFFFAOYSA-N
XLogP2.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
CID 93286867
4-[1-(2-chloro-4-fluorophenyl)ethylamino]butan-2-ol
CID 64911537
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
(1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine
CID 81347805
N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]methanesulfonamide
CID 95632056
N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 54964315
(1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 81364829
2-chloro-N-(2-ethylsulfonylethyl)-4-fluoroaniline
CID 43807712
1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 103864785
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460624
N-[1-(2-chloro-4-fluorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 43768220
1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780969

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine (CID 103780933) is 1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine is CCS(=O)(=O)CCNC(C)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine?
The InChIKey is JGWVUOBKQLQLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO2S/c1-3-18(16,17)7-6-15-9(2)11-5-4-10(14)8-12(11)13/h4-5,8-9,15H,3,6-7H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine?
1-(2-chloro-4-fluorophenyl)-N-(2-ethylsulfonylethyl)ethanamine has a molecular weight of 293.79 g/mol, XLogP of 2.56, 6 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-ethylsulfonylethyl)ethanamine is sourced from PubChem (CID 103780933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).