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

C15H13F3N2O2S — CID 5414860

IUPAC4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C\c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O2S/c1-11-6-8-13(9-7-11)23(21,22)20-19-10-12-4-2-3-5-14(12)15(16,17)18/h2-10,20H,1H3/b19-10-
InChIKeyMKWVMGVIWURRLD-GRSHGNNSSA-N
MW342.34 g/mol
LogP3.33
Rot. Bonds4

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

4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide (PubChem CID 5414860) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
PubChem CID5414860
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC Name4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C\c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O2S/c1-11-6-8-13(9-7-11)23(21,22)20-19-10-12-4-2-3-5-14(12)15(16,17)18/h2-10,20H,1H3/b19-10-
InChIKeyMKWVMGVIWURRLD-GRSHGNNSSA-N
XLogP3.33
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

4-chloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 1349846
2,5-dimethyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 6892667
N-[(2-iodophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 4113219
N-[(E)-[2-(fluoromethyl)phenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 10357801
2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]benzoic acid
CID 74699055
N-[(2-benzylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 175789104
4-methyl-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide
CID 7028589
4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110516458
N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 174212459
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
4-methyl-N-[(E)-[4-[(E)-2-phenylethenyl]phenyl]methylideneamino]benzenesulfonamide
CID 162516902
N-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 171035196

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide (CID 5414860) is 4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C\c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide?
The InChIKey is MKWVMGVIWURRLD-GRSHGNNSSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c1-11-6-8-13(9-7-11)23(21,22)20-19-10-12-4-2-3-5-14(12)15(16,17)18/h2-10,20H,1H3/b19-10-.
What are the key properties of 4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide?
4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide has a molecular weight of 342.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 5414860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).