2-(5-bromo-3-pyridinyl)-1-(3-methylsulfonylphenyl)ethanamine

C14H15BrN2O2S — CID 105036748

IUPAC2-(5-bromo-3-pyridinyl)-1-(3-methylsulfonylphenyl)ethanamine
SMILESCS(=O)(=O)c1cccc(C(N)Cc2cncc(Br)c2)c1
InChIInChI=1S/C14H15BrN2O2S/c1-20(18,19)13-4-2-3-11(7-13)14(16)6-10-5-12(15)9-17-8-10/h2-5,7-9,14H,6,16H2,1H3
InChIKeyWHMFTFRWFLASTJ-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.49
Rot. Bonds4

About 2-(5-bromo-3-pyridinyl)-1-(3-methylsulfonylphenyl)ethanamine

2-(5-bromo-3-pyridinyl)-1-(3-methylsulfonylphenyl)ethanamine (PubChem CID 105036748) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(3-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(3-methylsulfonylphenyl)ethanamine
PubChem CID105036748
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(3-methylsulfonylphenyl)ethanamine
SMILESCS(=O)(=O)c1cccc(C(N)Cc2cncc(Br)c2)c1
InChIInChI=1S/C14H15BrN2O2S/c1-20(18,19)13-4-2-3-11(7-13)14(16)6-10-5-12(15)9-17-8-10/h2-5,7-9,14H,6,16H2,1H3
InChIKeyWHMFTFRWFLASTJ-UHFFFAOYSA-N
XLogP2.49
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 105015570
2-(5-bromo-3-pyridinyl)-1-(3-methoxyphenyl)ethanamine
CID 104800998
2-(4-methylphenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115788166
2-(3-methylphenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115790732
2-(4-bromothiophen-2-yl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115847759
2-(3-fluorophenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115795669
2-(5-bromo-3-pyridinyl)-1-(2,3-dimethylphenyl)ethanamine
CID 105036926
1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103216227
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
CID 104801052
(2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride
CID 127264657
1-(3-methylsulfonylphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105015051

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3-methylsulfonylphenyl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(3-methylsulfonylphenyl)ethanamine (CID 105036748) is 2-(5-bromo-3-pyridinyl)-1-(3-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(3-methylsulfonylphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(3-methylsulfonylphenyl)ethanamine is CS(=O)(=O)c1cccc(C(N)Cc2cncc(Br)c2)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(3-methylsulfonylphenyl)ethanamine?
The InChIKey is WHMFTFRWFLASTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-20(18,19)13-4-2-3-11(7-13)14(16)6-10-5-12(15)9-17-8-10/h2-5,7-9,14H,6,16H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(3-methylsulfonylphenyl)ethanamine?
2-(5-bromo-3-pyridinyl)-1-(3-methylsulfonylphenyl)ethanamine has a molecular weight of 355.26 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(3-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 105036748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).