Basic information
- Standard SMILES
COC(CN(Cc1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1)OC- InChIKey
QHXHQEANVDGNSF-UHFFFAOYSA-N- Molecular formula
- C18H21BrClNO4S
- Average molar mass
- 462.8 g/mol
- Monoisotopic mass
- 461.00632
Names & identifiers
- Preferred name
- N-(4-Bromo-3-chloro-benzyl)-N-(2,2-dimethoxy-ethyl)-4-methyl-benzene-sulfonamide
- IUPAC
- N-[(4-bromo-3-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide
Names & synonyms
SCHEMBL1571490QHXHQEANVDGNSF-UHFFFAOYSA-NN-(4-Bromo-3-chloro-benzyl)-N-(2,2-dimethoxy-ethyl)-4-methyl-benzene-sulfonamide
Database identifiers
- PubChem CID
- 59226258
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 518
Related reactions
2 records
Compound notes
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