Basic information
- CAS
107618-53-1- Standard SMILES
CCCCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
GJBHKLHWFSXQGR-UHFFFAOYSA-N- Molecular formula
- C13H20N2O4S
- Average molar mass
- 300.38 g/mol
- Monoisotopic mass
- 300.1143783
Names & identifiers
- Preferred name
- N-heptyl-4-nitrobenzenesulfonamide
- IUPAC
- N-heptyl-4-nitrobenzenesulfonamide
Names & synonyms
107618-53-1N-heptyl-4-nitrobenzenesulfonamideDTXSID401297414N-Heptyl-4-nitrobenzenesulfonamideEAKOS003835265N-Heptyl-4-nitrobenzene-1-sulfonamide
Database identifiers
- CAS
107618-53-1- PubChem CID
- 4094440
- DTXSID
DTXSID401297414
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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