N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]methanimine

C15H14FNO2S — CID 584235

IUPACN-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]methanimine
SMILESC=NC(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H14FNO2S/c1-11-3-9-14(10-4-11)20(18,19)15(17-2)12-5-7-13(16)8-6-12/h3-10,15H,2H2,1H3
InChIKeyJSASCFJYSCMVQD-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.31
Rot. Bonds4

About N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]methanimine

N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]methanimine (PubChem CID 584235) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]methanimine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]methanimine
PubChem CID584235
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC NameN-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]methanimine
SMILESC=NC(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H14FNO2S/c1-11-3-9-14(10-4-11)20(18,19)15(17-2)12-5-7-13(16)8-6-12/h3-10,15H,2H2,1H3
InChIKeyJSASCFJYSCMVQD-UHFFFAOYSA-N
XLogP3.31
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.31
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-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]methanimine?
The IUPAC name of N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]methanimine (CID 584235) is N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]methanimine.
What is the SMILES notation for N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]methanimine?
The canonical SMILES for N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]methanimine is C=NC(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]methanimine?
The InChIKey is JSASCFJYSCMVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2S/c1-11-3-9-14(10-4-11)20(18,19)15(17-2)12-5-7-13(16)8-6-12/h3-10,15H,2H2,1H3.
What are the key properties of N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]methanimine?
N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]methanimine has a molecular weight of 291.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(4-methylphenyl)sulfonylmethyl]methanimine is sourced from PubChem (CID 584235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).