N-(2-methylphenyl)-1-(4-methylsulfonylphenyl)methanimine

C15H15NO2S — CID 139077864

IUPACN-(2-methylphenyl)-1-(4-methylsulfonylphenyl)methanimine
SMILESCc1ccccc1/N=C/c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H15NO2S/c1-12-5-3-4-6-15(12)16-11-13-7-9-14(10-8-13)19(2,17)18/h3-11H,1-2H3/b16-11+
InChIKeyPTFUMSQRGLAPJD-LFIBNONCSA-N
MW273.36 g/mol
LogP3.15
Rot. Bonds3

About N-(2-methylphenyl)-1-(4-methylsulfonylphenyl)methanimine

N-(2-methylphenyl)-1-(4-methylsulfonylphenyl)methanimine (PubChem CID 139077864) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(2-methylphenyl)-1-(4-methylsulfonylphenyl)methanimine.

Molecular Properties

Compound NameN-(2-methylphenyl)-1-(4-methylsulfonylphenyl)methanimine
PubChem CID139077864
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC NameN-(2-methylphenyl)-1-(4-methylsulfonylphenyl)methanimine
SMILESCc1ccccc1/N=C/c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H15NO2S/c1-12-5-3-4-6-15(12)16-11-13-7-9-14(10-8-13)19(2,17)18/h3-11H,1-2H3/b16-11+
InChIKeyPTFUMSQRGLAPJD-LFIBNONCSA-N
XLogP3.15
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1-(4-methylsulfonylphenyl)methanimine?
The IUPAC name of N-(2-methylphenyl)-1-(4-methylsulfonylphenyl)methanimine (CID 139077864) is N-(2-methylphenyl)-1-(4-methylsulfonylphenyl)methanimine.
What is the SMILES notation for N-(2-methylphenyl)-1-(4-methylsulfonylphenyl)methanimine?
The canonical SMILES for N-(2-methylphenyl)-1-(4-methylsulfonylphenyl)methanimine is Cc1ccccc1/N=C/c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-methylphenyl)-1-(4-methylsulfonylphenyl)methanimine?
The InChIKey is PTFUMSQRGLAPJD-LFIBNONCSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-12-5-3-4-6-15(12)16-11-13-7-9-14(10-8-13)19(2,17)18/h3-11H,1-2H3/b16-11+.
What are the key properties of N-(2-methylphenyl)-1-(4-methylsulfonylphenyl)methanimine?
N-(2-methylphenyl)-1-(4-methylsulfonylphenyl)methanimine has a molecular weight of 273.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1-(4-methylsulfonylphenyl)methanimine is sourced from PubChem (CID 139077864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).