Basic information
- Standard SMILES
C=C(C)COc1ccc(Cl)cc1CN(CC)c1ccc(S(N)(=O)=O)nn1- InChIKey
XWVOTYWTQXYGCO-UHFFFAOYSA-N- Molecular formula
- C17H21ClN4O3S
- Average molar mass
- 396.9 g/mol
Names & identifiers
- Preferred name
- 6-[N-(5-Chloro-2-(2-methylprop-2-en-1-yloxy)benzyl)-N-ethylamino]pyridazine-3-sulphonamide
- IUPAC
- 6-[[5-chloro-2-(2-methylprop-2-enoxy)phenyl]methyl-ethylamino]pyridazine-3-sulfonamide
Names & synonyms
SCHEMBL7812423XWVOTYWTQXYGCO-UHFFFAOYSA-N6-[N-(5-Chloro-2-(2-methylprop-2-en-1-yloxy)benzyl)-N-ethylamino]pyridazine-3-sulphonamide
Database identifiers
- PubChem CID
- 18693262
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 569
Related reactions
2 records
Compound notes
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