[4-(2-methylsulfonylphenyl)phenyl]methanamine

C14H15NO2S — CID 15551924

IUPAC[4-(2-methylsulfonylphenyl)phenyl]methanamine
SMILESCS(=O)(=O)c1ccccc1-c1ccc(CN)cc1
InChIInChI=1S/C14H15NO2S/c1-18(16,17)14-5-3-2-4-13(14)12-8-6-11(10-15)7-9-12/h2-9H,10,15H2,1H3
InChIKeyYRANTQDMGJFMKD-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.22
Rot. Bonds3

About [4-(2-methylsulfonylphenyl)phenyl]methanamine

[4-(2-methylsulfonylphenyl)phenyl]methanamine (PubChem CID 15551924) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is [4-(2-methylsulfonylphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylsulfonylphenyl)phenyl]methanamine
PubChem CID15551924
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name[4-(2-methylsulfonylphenyl)phenyl]methanamine
SMILESCS(=O)(=O)c1ccccc1-c1ccc(CN)cc1
InChIInChI=1S/C14H15NO2S/c1-18(16,17)14-5-3-2-4-13(14)12-8-6-11(10-15)7-9-12/h2-9H,10,15H2,1H3
InChIKeyYRANTQDMGJFMKD-UHFFFAOYSA-N
XLogP2.22
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylsulfonylphenyl)phenyl]methanamine?
The IUPAC name of [4-(2-methylsulfonylphenyl)phenyl]methanamine (CID 15551924) is [4-(2-methylsulfonylphenyl)phenyl]methanamine.
What is the SMILES notation for [4-(2-methylsulfonylphenyl)phenyl]methanamine?
The canonical SMILES for [4-(2-methylsulfonylphenyl)phenyl]methanamine is CS(=O)(=O)c1ccccc1-c1ccc(CN)cc1.
What is the InChIKey of [4-(2-methylsulfonylphenyl)phenyl]methanamine?
The InChIKey is YRANTQDMGJFMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-18(16,17)14-5-3-2-4-13(14)12-8-6-11(10-15)7-9-12/h2-9H,10,15H2,1H3.
What are the key properties of [4-(2-methylsulfonylphenyl)phenyl]methanamine?
[4-(2-methylsulfonylphenyl)phenyl]methanamine has a molecular weight of 261.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylsulfonylphenyl)phenyl]methanamine is sourced from PubChem (CID 15551924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).