4-methyl-N-[[3-(trifluoromethyl)phenyl]methylimino]benzenesulfonamide

C15H13F3N2O2S — CID 90864588

IUPAC4-methyl-N-[[3-(trifluoromethyl)phenyl]methylimino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=N/Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F3N2O2S/c1-11-5-7-14(8-6-11)23(21,22)20-19-10-12-3-2-4-13(9-12)15(16,17)18/h2-9H,10H2,1H3/b20-19+
InChIKeyQITOSXLMJSUGBL-FMQUCBEESA-N
MW342.34 g/mol
LogP4.35
Rot. Bonds4

About 4-methyl-N-[[3-(trifluoromethyl)phenyl]methylimino]benzenesulfonamide

4-methyl-N-[[3-(trifluoromethyl)phenyl]methylimino]benzenesulfonamide (PubChem CID 90864588) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is 4-methyl-N-[[3-(trifluoromethyl)phenyl]methylimino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[[3-(trifluoromethyl)phenyl]methylimino]benzenesulfonamide
PubChem CID90864588
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC Name4-methyl-N-[[3-(trifluoromethyl)phenyl]methylimino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=N/Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F3N2O2S/c1-11-5-7-14(8-6-11)23(21,22)20-19-10-12-3-2-4-13(9-12)15(16,17)18/h2-9H,10H2,1H3/b20-19+
InChIKeyQITOSXLMJSUGBL-FMQUCBEESA-N
XLogP4.35
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

p-Toluenesulfonamide, N-benzyl-
CID 95801
4-fluoro-N-(4-sulfamoylbenzyl)benzenesulfonamide
CID 788811
4-methyl-N-[(4-sulfamoylphenyl)methyl]benzene-1-sulfonamide
CID 2525511
N-Benzyl-N-nitroso-p-toluenesulfonamide
CID 4118076
2,3,4,5,6-Pentafluoro-N-(4-sulfamoyl-benzyl)-benzenesulfonamide
CID 10573928
4-[(Nonafluorobutane-1-sulfonylamino)-methyl]-benzenesulfonamide
CID 10695589
2,3,5,6-Tetrafluoro-N-(4-sulfamoyl-benzyl)-benzenesulfonamide
CID 11292444
4-(trifluoromethyl)-N-[[3-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide
CID 155557092
N-(4-fluorobenzyl)-4-methylbenzenesulfonamide
CID 2165167
4-[(Trifluoromethylsulfonylamino)methyl]benzenesulfonamide
CID 4184455
N-benzyl-3-(trifluoromethyl)benzene-1-sulfonamide
CID 2443202
4-methyl-N-(2,2,2-trifluoro-1-phenylethyl)benzenesulfonamide
CID 10758715

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[3-(trifluoromethyl)phenyl]methylimino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[[3-(trifluoromethyl)phenyl]methylimino]benzenesulfonamide (CID 90864588) is 4-methyl-N-[[3-(trifluoromethyl)phenyl]methylimino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[[3-(trifluoromethyl)phenyl]methylimino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[[3-(trifluoromethyl)phenyl]methylimino]benzenesulfonamide is Cc1ccc(S(=O)(=O)/N=N/Cc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-methyl-N-[[3-(trifluoromethyl)phenyl]methylimino]benzenesulfonamide?
The InChIKey is QITOSXLMJSUGBL-FMQUCBEESA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c1-11-5-7-14(8-6-11)23(21,22)20-19-10-12-3-2-4-13(9-12)15(16,17)18/h2-9H,10H2,1H3/b20-19+.
What are the key properties of 4-methyl-N-[[3-(trifluoromethyl)phenyl]methylimino]benzenesulfonamide?
4-methyl-N-[[3-(trifluoromethyl)phenyl]methylimino]benzenesulfonamide has a molecular weight of 342.34 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[3-(trifluoromethyl)phenyl]methylimino]benzenesulfonamide is sourced from PubChem (CID 90864588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).