Basic information
- Standard SMILES
O=[N+]([O-])c1cccc(OCCCCCNS(=O)(=O)c2cccc3ccccc23)c1- InChIKey
FIKOUISCIKFHBE-UHFFFAOYSA-N- Molecular formula
- C21H22N2O5S
- Average molar mass
- 414.5 g/mol
Names & identifiers
- Preferred name
- Naphthalene-1-sulfonic acid [5-(3-nitro-phenoxy)-pentyl]-amide
- IUPAC
- N-[5-(3-nitrophenoxy)pentyl]naphthalene-1-sulfonamide
Names & synonyms
FIKOUISCIKFHBE-UHFFFAOYSA-Nnaphthalene-1-sulfonic acid [5-(3-nitro-phenoxy)-pentyl]-amide
Database identifiers
- PubChem CID
- 86625271
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 616
Related reactions
2 records
Compound notes
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