Basic information
- Standard SMILES
C#CC(CC)N(C(CC)C(=O)C=[N+]=[N-])S(=O)(=O)c1ccc(Cl)cc1- InChIKey
FGNJDIUCLQMEJV-UHFFFAOYSA-N- Molecular formula
- C16H18ClN3O3S
- Average molar mass
- 367.9 g/mol
Names & identifiers
- Preferred name
- 4-chloro-N-(1-diazo-2-oxopentan-3-yl)-N-(pent-1-yn-3-yl)benzenesulfonamide
- IUPAC
- 4-chloro-N-(1-diazo-2-oxopentan-3-yl)-N-pent-1-yn-3-ylbenzenesulfonamide
Names & synonyms
SCHEMBL3070268FGNJDIUCLQMEJV-UHFFFAOYSA-N4-chloro-N-(1-diazo-2-oxopentan-3-yl)-N-(pent-1-yn-3-yl)benzenesulfonamide
Database identifiers
- PubChem CID
- 72259587
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 64.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 635
Related reactions
2 records
Linked notes
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