Basic information
- CAS
1036378-91-2- Standard SMILES
COC(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1)OC- InChIKey
MNLWRVRXGBORJM-UHFFFAOYSA-N- Molecular formula
- C18H22BrNO4S
- Average molar mass
- 428.3 g/mol
- Monoisotopic mass
- 427.04529128
Names & identifiers
- Preferred name
- N-(4-Bromo-benzyl)-N-(2,2-dimethoxy-ethyl)-4-methyl-benzenesulfonamide
- IUPAC
- N-[(4-bromophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide
- English name
- N-(4-broMobenzyl)-N-(2,2-diMethoxyethyl)-4-MethylbenzenesulfonaMide
- Molecular formula
- C18H22BrNO4S
- Molecular weight
- 428.34
Names & synonyms
N-(4-Bromo-benzyl)-N-(2,2-dimethoxy-ethyl)-4-methyl-benzenesulfonamide1036378-91-2SCHEMBL1411858MNLWRVRXGBORJM-UHFFFAOYSA-NDTXSID501142868N-[(4-Bromophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzene-1-sulfonamideN-[(4-bromophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamideN-(4-broMobenzyl)-N-(2,2-diMethoxyethyl)-4-MethylbenzenesulfonaMideBenzenesulfonamide, N-[(4-bromophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methyl-
Database identifiers
- CAS
1036378-91-2- PubChem CID
- 59226245
- DTXSID
DTXSID501142868
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 476
Physicochemical properties
- Boiling point
- 525.2 · 525.2±60.0 °C(Predicted)
- Density
- 1.378 · 1.378±0.06 g/cm3(Predicted)
- pka
- -6.98 · -6.98±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Related reactions
5 records
Compound notes
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