N-(2-(3,4-Dimethoxyphenyl)ethyl)benzenesulfonamide
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Basic information
- CAS
77199-00-9- Standard SMILES
COc1ccc(CCNS(=O)(=O)c2ccccc2)cc1OC- InChIKey
SIKXOAQIYJWILF-UHFFFAOYSA-N- Molecular formula
- C16H19NO4S
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.10347926
Names & identifiers
- Preferred name
- N-(2-(3,4-Dimethoxyphenyl)ethyl)benzenesulfonamide
- IUPAC
- N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
- English name
- (2-(3,4-DIMETHOXYPHENYL)ETHYL)(PHENYLSULFONYL)AMINE
- Molecular formula
- C16H19NO4S
- Molecular weight
- 321.39
Names & synonyms
N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide77199-00-9N-(2-(3,4-Dimethoxyphenyl)ethyl)benzenesulfonamideRefChem:360341N-(3,4-dimethoxyphenethyl)benzenesulfonamideMFCD00169897(2-(3,4-DIMETHOXYPHENYL)ETHYL)(PHENYLSULFONYL)AMINE[2-(3,4-dimethoxyphenyl)ethyl](phenylsulfonyl)amineMLS000061226Oprea1_542730Oprea1_543918CHEMBL258316
Show more names
Benzenesulfonamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-
SCHEMBL5960056DTXSID201229700HMS2331G21SBB062488STK126495AKOS000608501MS-6021FD169841
Database identifiers
- CAS
77199-00-9- PubChem CID
- 748770
- DTXSID
DTXSID201229700- ChEMBL
CHEMBL258316- Nikkaji
- J2.343.592F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 73 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 414
Physicochemical properties
- Melting point
- 72 °C · 72 °C
- Boiling point
- 478.7 · 478.7±55.0 °C(Predicted)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- pka
- 11.08 · 11.08±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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