1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine

C11H15Cl2NO2S — CID 55093519

IUPAC1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine
SMILESCNC(Cc1ccc(Cl)cc1Cl)CS(C)(=O)=O
InChIInChI=1S/C11H15Cl2NO2S/c1-14-10(7-17(2,15)16)5-8-3-4-9(12)6-11(8)13/h3-4,6,10,14H,5,7H2,1-2H3
InChIKeyLWHIIEHBCJUIQY-UHFFFAOYSA-N
MW296.22 g/mol
LogP2.17
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine

1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine (PubChem CID 55093519) has the molecular formula C11H15Cl2NO2S and a molecular weight of 296.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine
PubChem CID55093519
Molecular FormulaC11H15Cl2NO2S
Molecular Weight296.22 g/mol
Exact Mass295.02
IUPAC Name1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine
SMILESCNC(Cc1ccc(Cl)cc1Cl)CS(C)(=O)=O
InChIInChI=1S/C11H15Cl2NO2S/c1-14-10(7-17(2,15)16)5-8-3-4-9(12)6-11(8)13/h3-4,6,10,14H,5,7H2,1-2H3
InChIKeyLWHIIEHBCJUIQY-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 ≤ 500296.22
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-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine (CID 55093519) is 1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine is CNC(Cc1ccc(Cl)cc1Cl)CS(C)(=O)=O.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine?
The InChIKey is LWHIIEHBCJUIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2S/c1-14-10(7-17(2,15)16)5-8-3-4-9(12)6-11(8)13/h3-4,6,10,14H,5,7H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine?
1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine has a molecular weight of 296.22 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-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine is sourced from PubChem (CID 55093519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).