1-(2-chlorophenyl)-N-[2-(4-methylsulfonylphenyl)ethyl]methanimine

C16H16ClNO2S — CID 46881321

IUPAC1-(2-chlorophenyl)-N-[2-(4-methylsulfonylphenyl)ethyl]methanimine
SMILESCS(=O)(=O)c1ccc(CC/N=C/c2ccccc2Cl)cc1
InChIInChI=1S/C16H16ClNO2S/c1-21(19,20)15-8-6-13(7-9-15)10-11-18-12-14-4-2-3-5-16(14)17/h2-9,12H,10-11H2,1H3/b18-12+
InChIKeyAWVLDSVVRRXORC-LDADJPATSA-N
MW321.83 g/mol
LogP3.41
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[2-(4-methylsulfonylphenyl)ethyl]methanimine

1-(2-chlorophenyl)-N-[2-(4-methylsulfonylphenyl)ethyl]methanimine (PubChem CID 46881321) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-(4-methylsulfonylphenyl)ethyl]methanimine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-(4-methylsulfonylphenyl)ethyl]methanimine
PubChem CID46881321
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name1-(2-chlorophenyl)-N-[2-(4-methylsulfonylphenyl)ethyl]methanimine
SMILESCS(=O)(=O)c1ccc(CC/N=C/c2ccccc2Cl)cc1
InChIInChI=1S/C16H16ClNO2S/c1-21(19,20)15-8-6-13(7-9-15)10-11-18-12-14-4-2-3-5-16(14)17/h2-9,12H,10-11H2,1H3/b18-12+
InChIKeyAWVLDSVVRRXORC-LDADJPATSA-N
XLogP3.41
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.41
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 1-(2-chlorophenyl)-N-[2-(4-methylsulfonylphenyl)ethyl]methanimine?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-(4-methylsulfonylphenyl)ethyl]methanimine (CID 46881321) is 1-(2-chlorophenyl)-N-[2-(4-methylsulfonylphenyl)ethyl]methanimine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-(4-methylsulfonylphenyl)ethyl]methanimine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-(4-methylsulfonylphenyl)ethyl]methanimine is CS(=O)(=O)c1ccc(CC/N=C/c2ccccc2Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-(4-methylsulfonylphenyl)ethyl]methanimine?
The InChIKey is AWVLDSVVRRXORC-LDADJPATSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-21(19,20)15-8-6-13(7-9-15)10-11-18-12-14-4-2-3-5-16(14)17/h2-9,12H,10-11H2,1H3/b18-12+.
What are the key properties of 1-(2-chlorophenyl)-N-[2-(4-methylsulfonylphenyl)ethyl]methanimine?
1-(2-chlorophenyl)-N-[2-(4-methylsulfonylphenyl)ethyl]methanimine has a molecular weight of 321.83 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-(4-methylsulfonylphenyl)ethyl]methanimine is sourced from PubChem (CID 46881321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).