1-(2-chloro-6-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine

C11H15ClFNO2S — CID 55080899

IUPAC1-(2-chloro-6-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine
SMILESCNC(Cc1c(F)cccc1Cl)CS(C)(=O)=O
InChIInChI=1S/C11H15ClFNO2S/c1-14-8(7-17(2,15)16)6-9-10(12)4-3-5-11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyIXMALFLQLKBKCQ-UHFFFAOYSA-N
MW279.76 g/mol
LogP1.65
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine

1-(2-chloro-6-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine (PubChem CID 55080899) has the molecular formula C11H15ClFNO2S and a molecular weight of 279.76 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine
PubChem CID55080899
Molecular FormulaC11H15ClFNO2S
Molecular Weight279.76 g/mol
Exact Mass279.05
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine
SMILESCNC(Cc1c(F)cccc1Cl)CS(C)(=O)=O
InChIInChI=1S/C11H15ClFNO2S/c1-14-8(7-17(2,15)16)6-9-10(12)4-3-5-11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyIXMALFLQLKBKCQ-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine (CID 55080899) is 1-(2-chloro-6-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine is CNC(Cc1c(F)cccc1Cl)CS(C)(=O)=O.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine?
The InChIKey is IXMALFLQLKBKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO2S/c1-14-8(7-17(2,15)16)6-9-10(12)4-3-5-11(9)13/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine?
1-(2-chloro-6-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine has a molecular weight of 279.76 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine is sourced from PubChem (CID 55080899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).