N-(2-(2-Bromoacetyl)-4,5-dimethoxyphenyl)-4-methylbenzenesulfonamide
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Basic information
- CAS
886493-98-7- Standard SMILES
COc1cc(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)CBr)cc1OC- InChIKey
OIXWABHJNKOSCH-UHFFFAOYSA-N- Molecular formula
- C17H18BrNO5S
- Average molar mass
- 428.3 g/mol
- Monoisotopic mass
- 427.00891
Names & identifiers
- Preferred name
- N-(2-(2-Bromoacetyl)-4,5-dimethoxyphenyl)-4-methylbenzenesulfonamide
- IUPAC
- N-[2-(2-bromoacetyl)-4,5-dimethoxyphenyl]-4-methylbenzenesulfonamide
- English name
- N-[2-(2-BROMO-ACETYL)-4,5-DIMETHOXY-PHENYL]-4-METHYL-BENZENESULFONAMIDE
- Molecular formula
- C17H18BrNO5S
- Molecular weight
- 428.3
Names & synonyms
886493-98-7N-(2-(2-Bromoacetyl)-4,5-dimethoxyphenyl)-4-methylbenzenesulfonamideN-[2-(2-bromoacetyl)-4,5-dimethoxyphenyl]-4-methylbenzenesulfonamideN-[2-(2-Bromo-acetyl)-4,5-dimethoxy-phenyl]-4-methyl-benzenesulfonamideBenzenesulfonamide, N-[2-(2-bromoacetyl)-4,5-dimethoxyphenyl]-4-methyl-
Database identifiers
- CAS
886493-98-7- PubChem CID
- 7148147
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 542
Related reactions
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Compound notes
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