N-(2-methylsulfonylphenyl)-1-(2,4,6-trifluorophenyl)methanimine

C14H10F3NO2S — CID 54275662

IUPACN-(2-methylsulfonylphenyl)-1-(2,4,6-trifluorophenyl)methanimine
SMILESCS(=O)(=O)c1ccccc1/N=C/c1c(F)cc(F)cc1F
InChIInChI=1S/C14H10F3NO2S/c1-21(19,20)14-5-3-2-4-13(14)18-8-10-11(16)6-9(15)7-12(10)17/h2-8H,1H3/b18-8+
InChIKeyRNFWBKGTQKLTAV-QGMBQPNBSA-N
MW313.30 g/mol
LogP3.26
Rot. Bonds3

About N-(2-methylsulfonylphenyl)-1-(2,4,6-trifluorophenyl)methanimine

N-(2-methylsulfonylphenyl)-1-(2,4,6-trifluorophenyl)methanimine (PubChem CID 54275662) has the molecular formula C14H10F3NO2S and a molecular weight of 313.30 g/mol. Its IUPAC name is N-(2-methylsulfonylphenyl)-1-(2,4,6-trifluorophenyl)methanimine.

Molecular Properties

Compound NameN-(2-methylsulfonylphenyl)-1-(2,4,6-trifluorophenyl)methanimine
PubChem CID54275662
Molecular FormulaC14H10F3NO2S
Molecular Weight313.30 g/mol
Exact Mass313.04
IUPAC NameN-(2-methylsulfonylphenyl)-1-(2,4,6-trifluorophenyl)methanimine
SMILESCS(=O)(=O)c1ccccc1/N=C/c1c(F)cc(F)cc1F
InChIInChI=1S/C14H10F3NO2S/c1-21(19,20)14-5-3-2-4-13(14)18-8-10-11(16)6-9(15)7-12(10)17/h2-8H,1H3/b18-8+
InChIKeyRNFWBKGTQKLTAV-QGMBQPNBSA-N
XLogP3.26
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 53.26
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-methylsulfonylphenyl)-1-(2,4,6-trifluorophenyl)methanimine?
The IUPAC name of N-(2-methylsulfonylphenyl)-1-(2,4,6-trifluorophenyl)methanimine (CID 54275662) is N-(2-methylsulfonylphenyl)-1-(2,4,6-trifluorophenyl)methanimine.
What is the SMILES notation for N-(2-methylsulfonylphenyl)-1-(2,4,6-trifluorophenyl)methanimine?
The canonical SMILES for N-(2-methylsulfonylphenyl)-1-(2,4,6-trifluorophenyl)methanimine is CS(=O)(=O)c1ccccc1/N=C/c1c(F)cc(F)cc1F.
What is the InChIKey of N-(2-methylsulfonylphenyl)-1-(2,4,6-trifluorophenyl)methanimine?
The InChIKey is RNFWBKGTQKLTAV-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H10F3NO2S/c1-21(19,20)14-5-3-2-4-13(14)18-8-10-11(16)6-9(15)7-12(10)17/h2-8H,1H3/b18-8+.
What are the key properties of N-(2-methylsulfonylphenyl)-1-(2,4,6-trifluorophenyl)methanimine?
N-(2-methylsulfonylphenyl)-1-(2,4,6-trifluorophenyl)methanimine has a molecular weight of 313.30 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylphenyl)-1-(2,4,6-trifluorophenyl)methanimine is sourced from PubChem (CID 54275662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).