[2-bromo-6-(4-methylsulfonylphenoxy)phenyl]methanamine

C14H14BrNO3S — CID 114879942

IUPAC[2-bromo-6-(4-methylsulfonylphenoxy)phenyl]methanamine
SMILESCS(=O)(=O)c1ccc(Oc2cccc(Br)c2CN)cc1
InChIInChI=1S/C14H14BrNO3S/c1-20(17,18)11-7-5-10(6-8-11)19-14-4-2-3-13(15)12(14)9-16/h2-8H,9,16H2,1H3
InChIKeyDCOZJCVJYNHTSI-UHFFFAOYSA-N
MW356.24 g/mol
LogP3.10
Rot. Bonds4

About [2-bromo-6-(4-methylsulfonylphenoxy)phenyl]methanamine

[2-bromo-6-(4-methylsulfonylphenoxy)phenyl]methanamine (PubChem CID 114879942) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is [2-bromo-6-(4-methylsulfonylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-6-(4-methylsulfonylphenoxy)phenyl]methanamine
PubChem CID114879942
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC Name[2-bromo-6-(4-methylsulfonylphenoxy)phenyl]methanamine
SMILESCS(=O)(=O)c1ccc(Oc2cccc(Br)c2CN)cc1
InChIInChI=1S/C14H14BrNO3S/c1-20(17,18)11-7-5-10(6-8-11)19-14-4-2-3-13(15)12(14)9-16/h2-8H,9,16H2,1H3
InChIKeyDCOZJCVJYNHTSI-UHFFFAOYSA-N
XLogP3.10
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-fluoro-6-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 79517826
[4-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 43806811
1-chloro-2-(chloromethyl)-3-(4-methylsulfonylphenoxy)benzene
CID 43807153
[2-chloro-6-(4-methylsulfonylphenoxy)phenyl]methanol
CID 43807134
[2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine
CID 114880011
[2-(3-methylsulfonylphenoxy)phenyl]methanamine
CID 43806812
(1R)-1-[2-(4-methylsulfonylphenoxy)phenyl]propan-1-amine
CID 103959322
[3-chloro-4-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 63086683
[4,6-dimethyl-2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine
CID 61175958
4-bromo-1-(bromomethyl)-2-(4-methylsulfonylphenoxy)benzene
CID 107087837
8-(4-methylsulfonylphenoxy)quinoline
CID 11220281
4-bromo-5-(4-methylsulfonylphenoxy)-2-nitroaniline
CID 23145228

Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-(4-methylsulfonylphenoxy)phenyl]methanamine?
The IUPAC name of [2-bromo-6-(4-methylsulfonylphenoxy)phenyl]methanamine (CID 114879942) is [2-bromo-6-(4-methylsulfonylphenoxy)phenyl]methanamine.
What is the SMILES notation for [2-bromo-6-(4-methylsulfonylphenoxy)phenyl]methanamine?
The canonical SMILES for [2-bromo-6-(4-methylsulfonylphenoxy)phenyl]methanamine is CS(=O)(=O)c1ccc(Oc2cccc(Br)c2CN)cc1.
What is the InChIKey of [2-bromo-6-(4-methylsulfonylphenoxy)phenyl]methanamine?
The InChIKey is DCOZJCVJYNHTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/c1-20(17,18)11-7-5-10(6-8-11)19-14-4-2-3-13(15)12(14)9-16/h2-8H,9,16H2,1H3.
What are the key properties of [2-bromo-6-(4-methylsulfonylphenoxy)phenyl]methanamine?
[2-bromo-6-(4-methylsulfonylphenoxy)phenyl]methanamine has a molecular weight of 356.24 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-6-(4-methylsulfonylphenoxy)phenyl]methanamine is sourced from PubChem (CID 114879942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).