N-methyl-1-[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methanimine

C10H10F3NO2S — CID 126489064

IUPACN-methyl-1-[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methanimine
SMILESC/N=C/c1cc(C(F)(F)F)cc(S(C)(=O)=O)c1
InChIInChI=1S/C10H10F3NO2S/c1-14-6-7-3-8(10(11,12)13)5-9(4-7)17(2,15)16/h3-6H,1-2H3/b14-6+
InChIKeyUZCDSXQKGDWZHU-MKMNVTDBSA-N
MW265.26 g/mol
LogP2.16
Rot. Bonds2

About N-methyl-1-[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methanimine

N-methyl-1-[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methanimine (PubChem CID 126489064) has the molecular formula C10H10F3NO2S and a molecular weight of 265.26 g/mol. Its IUPAC name is N-methyl-1-[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-methyl-1-[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methanimine
PubChem CID126489064
Molecular FormulaC10H10F3NO2S
Molecular Weight265.26 g/mol
Exact Mass265.04
IUPAC NameN-methyl-1-[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methanimine
SMILESC/N=C/c1cc(C(F)(F)F)cc(S(C)(=O)=O)c1
InChIInChI=1S/C10H10F3NO2S/c1-14-6-7-3-8(10(11,12)13)5-9(4-7)17(2,15)16/h3-6H,1-2H3/b14-6+
InChIKeyUZCDSXQKGDWZHU-MKMNVTDBSA-N
XLogP2.16
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.16
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-methyl-1-[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-methyl-1-[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methanimine (CID 126489064) is N-methyl-1-[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-methyl-1-[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-methyl-1-[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methanimine is C/N=C/c1cc(C(F)(F)F)cc(S(C)(=O)=O)c1.
What is the InChIKey of N-methyl-1-[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methanimine?
The InChIKey is UZCDSXQKGDWZHU-MKMNVTDBSA-N. The full InChI is InChI=1S/C10H10F3NO2S/c1-14-6-7-3-8(10(11,12)13)5-9(4-7)17(2,15)16/h3-6H,1-2H3/b14-6+.
What are the key properties of N-methyl-1-[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methanimine?
N-methyl-1-[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methanimine has a molecular weight of 265.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methylsulfonyl-5-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 126489064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).