4-methyl-N-[[2-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide

C15H13F3N2O3S — CID 138455314

IUPAC4-methyl-N-[[2-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O3S/c1-11-6-8-13(9-7-11)24(21,22)20-19-10-12-4-2-3-5-14(12)23-15(16,17)18/h2-10,20H,1H3
InChIKeyVJQWQZGPWGQFNL-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.21
Rot. Bonds5

About 4-methyl-N-[[2-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide

4-methyl-N-[[2-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide (PubChem CID 138455314) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is 4-methyl-N-[[2-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[[2-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide
PubChem CID138455314
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC Name4-methyl-N-[[2-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NN=Cc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O3S/c1-11-6-8-13(9-7-11)24(21,22)20-19-10-12-4-2-3-5-14(12)23-15(16,17)18/h2-10,20H,1H3
InChIKeyVJQWQZGPWGQFNL-UHFFFAOYSA-N
XLogP3.21
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[2-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[[2-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide (CID 138455314) is 4-methyl-N-[[2-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[[2-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[[2-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide is Cc1ccc(S(=O)(=O)NN=Cc2ccccc2OC(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-[[2-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide?
The InChIKey is VJQWQZGPWGQFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c1-11-6-8-13(9-7-11)24(21,22)20-19-10-12-4-2-3-5-14(12)23-15(16,17)18/h2-10,20H,1H3.
What are the key properties of 4-methyl-N-[[2-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide?
4-methyl-N-[[2-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide has a molecular weight of 358.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[2-(trifluoromethoxy)phenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 138455314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).