Basic information
- CAS
89820-21-3- Standard SMILES
CC(c1ccc(Br)cc1)N(CC1CO1)S(=O)(=O)c1ccccc1- InChIKey
AAUNEYPURDRNGG-UHFFFAOYSA-N- Molecular formula
- C17H18BrNO3S
- Average molar mass
- 396.3 g/mol
- Monoisotopic mass
- 395.01908
Names & identifiers
- Preferred name
- Benzenesulfonamide, N-(1-(4-bromophenyl)ethyl)-N-(2-oxiranylmethyl)-
- IUPAC
- N-[1-(4-bromophenyl)ethyl]-N-(oxiran-2-ylmethyl)benzenesulfonamide
Names & synonyms
89820-21-3Benzenesulfonamide, N-(1-(4-bromophenyl)ethyl)-N-(2-oxiranylmethyl)-DTXSID001009009N-[1-(4-Bromophenyl)ethyl]-N-[(oxiran-2-yl)methyl]benzenesulfonamide
Database identifiers
- CAS
89820-21-3- PubChem CID
- 186502
- DTXSID
DTXSID001009009
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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