4-methyl-N-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide

C16H15F3N2O2S — CID 70678128

IUPAC4-methyl-N-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O2S/c1-11-3-9-15(10-4-11)24(22,23)21-20-12(2)13-5-7-14(8-6-13)16(17,18)19/h3-10,21H,1-2H3/b20-12+
InChIKeyWDLRCQNODYXPND-UDWIEESQSA-N
MW356.37 g/mol
LogP3.72
Rot. Bonds4

About 4-methyl-N-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide

4-methyl-N-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide (PubChem CID 70678128) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is 4-methyl-N-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide
PubChem CID70678128
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC Name4-methyl-N-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide
SMILESC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N2O2S/c1-11-3-9-15(10-4-11)24(22,23)21-20-12(2)13-5-7-14(8-6-13)16(17,18)19/h3-10,21H,1-2H3/b20-12+
InChIKeyWDLRCQNODYXPND-UDWIEESQSA-N
XLogP3.72
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.72
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

1,3-Diphenylacetone p-tosylhydrazone
CID 88263
N'-(3-allylcyclohexylidene)-4-methylbenzenesulfonohydrazide
CID 6244004
4-methyl-N-[(Z)-1-[(1S,2S)-2-phenylcyclopropyl]ethylideneamino]benzenesulfonamide
CID 11899977
Cyclohexanone p-Toluenesulfonylhydrazone
CID 244768
N'-(1,3-dimethyl-3-phenylbutylidene)benzenesulfonohydrazide
CID 5913345
N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzenesulfonamide
CID 6235868
6-(4-butylphenyl)-2-(4-butylphenyl)sulfonyl-4,5-dihydro-3H-pyridazine
CID 10454374
1-Propiophenone tosylhydrazone
CID 280394
N'-(3,4-Dihydronaphthalen-1(2H)-ylidene)-4-methylbenzene-1-sulfonohydrazide
CID 280414
4-tert-butyl-N'-[(1E)-1-phenylethylidene]benzenesulfonohydrazide
CID 9639996
N'-(Diphenylmethylene)-4-methylbenzenesulfonohydrazide
CID 274531
Mls003115187
CID 315047

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide (CID 70678128) is 4-methyl-N-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide is C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide?
The InChIKey is WDLRCQNODYXPND-UDWIEESQSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c1-11-3-9-15(10-4-11)24(22,23)21-20-12(2)13-5-7-14(8-6-13)16(17,18)19/h3-10,21H,1-2H3/b20-12+.
What are the key properties of 4-methyl-N-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide?
4-methyl-N-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide has a molecular weight of 356.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-1-[4-(trifluoromethyl)phenyl]ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 70678128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).