N-(4-Methoxybenzylidene)-4-methylbenzenesulfonamide
Basic information
- CAS
135822-88-7- Standard SMILES
COc1ccc(/C=N/S(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
NMFPHUIOZBSQGW-LFIBNONCSA-N- Molecular formula
- C15H15NO3S
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.07726451
Names & identifiers
- Preferred name
- N-(4-Methoxybenzylidene)-4-methylbenzenesulfonamide
- IUPAC
- (NE)-N-[(4-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide
Names & synonyms
N-(4-METHOXYBENZYLIDENE)-4-METHYLBENZENESULFONAMIDERefChem:827749624-804-1135822-88-714674-38-5(E)-N-(4-methoxybenzylidene)-4-methylbenzenesulfonamideMFCD00507558(NE)-N-[(4-methoxyphenyl)methylidene]-4-methylbenzenesulfonamideN-[(1E)-(4-methoxyphenyl)methylidene]-4-methylbenzene-1-sulfonamideMLS000680121CHEMBL3213892DTXSID801322356
Show more names
N-[(E)-(4-methoxyphenyl)methylidene]-4-methylbenzene-1-sulfonamideAKOS002251431SMR000324387ST50322560(E)-4-methyl-N-p-anisylidene-benzenesulfonamideAB00079169-01F0016-0116(1E)-2-(4-methoxyphenyl)-1-[(4-methylphenyl)sulfonyl]-1-azaethene
Database identifiers
- CAS
135822-88-7、14674-38-5- PubChem CID
- 5706325
- DTXSID
DTXSID801322356- ChEMBL
CHEMBL3213892- EC Number
- 624-804-1
- Nikkaji
- J336.171C、J741.805A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 411
Experimental & physicochemical properties
Solubility41 [ug/mL] (The mean of the results at pH 7.4)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…