N-[(Z)-heptan-3-ylideneamino]-4-nitrobenzenesulfonamide
Basic information
- CAS
5460-18-4- Standard SMILES
CCCC/C(CC)=N\NS(=O)(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
MYOUXXKNMPSOTD-KAMYIIQDSA-N- Molecular formula
- C13H19N3O4S
- Average molar mass
- 313.37 g/mol
- Monoisotopic mass
- 313.10962727
Names & identifiers
- Preferred name
- N-[(Z)-heptan-3-ylideneamino]-4-nitrobenzenesulfonamide
- IUPAC
- N-[(Z)-heptan-3-ylideneamino]-4-nitrobenzenesulfonamide
Names & synonyms
NSC226295460-18-4DTXSID60422921NSC-22629N'-[(3Z)-Heptan-3-ylidene]-4-nitrobenzene-1-sulfonohydrazide
Database identifiers
- CAS
5460-18-4- PubChem CID
- 6374239
- DTXSID
DTXSID60422921
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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