1-(2-chloro-4-fluorophenyl)-3-methylsulfonylpropan-1-amine

C10H13ClFNO2S — CID 62944368

IUPAC1-(2-chloro-4-fluorophenyl)-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCC(N)c1ccc(F)cc1Cl
InChIInChI=1S/C10H13ClFNO2S/c1-16(14,15)5-4-10(13)8-3-2-7(12)6-9(8)11/h2-3,6,10H,4-5,13H2,1H3
InChIKeySDPSOXJAOJUDLR-UHFFFAOYSA-N
MW265.74 g/mol
LogP1.91
Rot. Bonds4

About 1-(2-chloro-4-fluorophenyl)-3-methylsulfonylpropan-1-amine

1-(2-chloro-4-fluorophenyl)-3-methylsulfonylpropan-1-amine (PubChem CID 62944368) has the molecular formula C10H13ClFNO2S and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-methylsulfonylpropan-1-amine
PubChem CID62944368
Molecular FormulaC10H13ClFNO2S
Molecular Weight265.74 g/mol
Exact Mass265.03
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-methylsulfonylpropan-1-amine
SMILESCS(=O)(=O)CCC(N)c1ccc(F)cc1Cl
InChIInChI=1S/C10H13ClFNO2S/c1-16(14,15)5-4-10(13)8-3-2-7(12)6-9(8)11/h2-3,6,10H,4-5,13H2,1H3
InChIKeySDPSOXJAOJUDLR-UHFFFAOYSA-N
XLogP1.91
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.91
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)-3-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-methylsulfonylpropan-1-amine (CID 62944368) is 1-(2-chloro-4-fluorophenyl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-methylsulfonylpropan-1-amine is CS(=O)(=O)CCC(N)c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-methylsulfonylpropan-1-amine?
The InChIKey is SDPSOXJAOJUDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2S/c1-16(14,15)5-4-10(13)8-3-2-7(12)6-9(8)11/h2-3,6,10H,4-5,13H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-methylsulfonylpropan-1-amine?
1-(2-chloro-4-fluorophenyl)-3-methylsulfonylpropan-1-amine has a molecular weight of 265.74 g/mol, XLogP of 1.91, 4 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)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 62944368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).