Basic information
- Standard SMILES
Cc1cc(C)c(S(=O)(=O)N(Cc2ccc(OC3CCCCO3)cc2Cl)c2ccc(I)cc2)c(C)c1- InChIKey
NICSZNIMKDOGDG-UHFFFAOYSA-N- Molecular formula
- C27H29ClINO4S
- Average molar mass
- 625.9 g/mol
Names & identifiers
- Preferred name
- N-[2-Chloro-4-(tetrahydro-pyran-2-yloxy)-benzyl]-N-(4-iodo-phenyl)-2,4,6-trimethyl-benzenesulfonamide
- IUPAC
- N-[[2-chloro-4-(oxan-2-yloxy)phenyl]methyl]-N-(4-iodophenyl)-2,4,6-trimethylbenzenesulfonamide
Names & synonyms
SCHEMBL5863517NICSZNIMKDOGDG-UHFFFAOYSA-NN-[2-Chloro-4-(tetrahydro-pyran-2-yloxy)-benzyl]-N-(4-iodo-phenyl)-2,4,6-trimethyl-benzenesulfonamide
Database identifiers
- PubChem CID
- 22137336
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 760
Related reactions
4 records
Compound notes
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