[4-(4-methylsulfonylphenoxy)phenyl]methanamine

C14H15NO3S — CID 43806811

IUPAC[4-(4-methylsulfonylphenoxy)phenyl]methanamine
SMILESCS(=O)(=O)c1ccc(Oc2ccc(CN)cc2)cc1
InChIInChI=1S/C14H15NO3S/c1-19(16,17)14-8-6-13(7-9-14)18-12-4-2-11(10-15)3-5-12/h2-9H,10,15H2,1H3
InChIKeyXQLFNPLUJKOODE-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.34
Rot. Bonds4

About [4-(4-methylsulfonylphenoxy)phenyl]methanamine

[4-(4-methylsulfonylphenoxy)phenyl]methanamine (PubChem CID 43806811) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is [4-(4-methylsulfonylphenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(4-methylsulfonylphenoxy)phenyl]methanamine
PubChem CID43806811
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name[4-(4-methylsulfonylphenoxy)phenyl]methanamine
SMILESCS(=O)(=O)c1ccc(Oc2ccc(CN)cc2)cc1
InChIInChI=1S/C14H15NO3S/c1-19(16,17)14-8-6-13(7-9-14)18-12-4-2-11(10-15)3-5-12/h2-9H,10,15H2,1H3
InChIKeyXQLFNPLUJKOODE-UHFFFAOYSA-N
XLogP2.34
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(aminomethyl)phenoxy]benzenesulfonamide
CID 106485731
[3-chloro-4-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 63086683
[4-(4-methylsulfonylphenyl)sulfanylphenyl]methanamine
CID 63237915
[2-bromo-6-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 114879942
[2-fluoro-6-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 79517826
2-[4-(3-methylsulfonylphenoxy)phenyl]ethanamine
CID 63803153
1-tert-butyl-4-(4-methylsulfonylphenoxy)benzene
CID 153290833
2-[3-methyl-4-(4-methylsulfonylphenoxy)phenyl]ethanamine
CID 63803669
[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine
CID 64697987
2-(4-methylsulfonylphenyl)ethanamine chloride
CID 20849935
[2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine
CID 43806809
[4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]methanamine
CID 114599487

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylsulfonylphenoxy)phenyl]methanamine?
The IUPAC name of [4-(4-methylsulfonylphenoxy)phenyl]methanamine (CID 43806811) is [4-(4-methylsulfonylphenoxy)phenyl]methanamine.
What is the SMILES notation for [4-(4-methylsulfonylphenoxy)phenyl]methanamine?
The canonical SMILES for [4-(4-methylsulfonylphenoxy)phenyl]methanamine is CS(=O)(=O)c1ccc(Oc2ccc(CN)cc2)cc1.
What is the InChIKey of [4-(4-methylsulfonylphenoxy)phenyl]methanamine?
The InChIKey is XQLFNPLUJKOODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-19(16,17)14-8-6-13(7-9-14)18-12-4-2-11(10-15)3-5-12/h2-9H,10,15H2,1H3.
What are the key properties of [4-(4-methylsulfonylphenoxy)phenyl]methanamine?
[4-(4-methylsulfonylphenoxy)phenyl]methanamine has a molecular weight of 277.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylsulfonylphenoxy)phenyl]methanamine is sourced from PubChem (CID 43806811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).