Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCNCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1- InChIKey
YNUCBHYNXQGNQR-UHFFFAOYSA-N- Molecular formula
- C20H27N3O4S2
- Average molar mass
- 437.6 g/mol
Names & identifiers
- Preferred name
- 4,7-Bis(p-tolylsulphonyl)-1,4,7-triazacyclononane
- IUPAC
- 1,4-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonane
Names & synonyms
SCHEMBL3977980YNUCBHYNXQGNQR-UHFFFAOYSA-N4,7-bis(p-tolylsulphonyl)-1,4,7-triazacyclononaneN,N'-bis(p-toluenesulfonyl)-1,4,7-triazacyclononane
Database identifiers
- PubChem CID
- 10906262
- Nikkaji
- J1.223.214D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 652
Related reactions
8 records
Compound notes
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