Basic information
- Standard SMILES
NS(=O)(=O)c1cccc(C#CCOCCCCCCCBr)c1- InChIKey
MIHYMSQLSRPNFK-UHFFFAOYSA-N- Molecular formula
- C16H22BrNO3S
- Average molar mass
- 388.3 g/mol
Names & identifiers
- Preferred name
- 3-{3-[(7-Bromoheptyl)oxy]prop-1-ynyl}benzenesulfonamide
- IUPAC
- 3-[3-(7-bromoheptoxy)prop-1-ynyl]benzenesulfonamide
Names & synonyms
SCHEMBL4810292MIHYMSQLSRPNFK-UHFFFAOYSA-N3-{3-[(7-Bromoheptyl)oxy]prop-1-ynyl}benzenesulfonamide
Database identifiers
- PubChem CID
- 21895385
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 461
Related reactions
5 records
Linked notes
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