Basic information
- Standard SMILES
CCCCS(=O)(=O)NC(=O)c1ccc([N+](=O)[O-])c(NC(C)=O)c1- InChIKey
CASJJZLSHOUHSJ-UHFFFAOYSA-N- Molecular formula
- C13H17N3O6S
- Average molar mass
- 343.36 g/mol
Names & identifiers
- Preferred name
- N-1-butanesulfonyl-3-acetylamino-4-nitrobenzamide
- IUPAC
- 3-acetamido-N-butylsulfonyl-4-nitrobenzamide
Names & synonyms
SCHEMBL6172349CASJJZLSHOUHSJ-UHFFFAOYSA-NN-1-butanesulfonyl-3-acetylamino-4-nitrobenzamide
Database identifiers
- PubChem CID
- 18315475
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 551
Related reactions
3 records
Compound notes
Loading…