Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(I)c1- InChIKey
OHKCXFVXSDZORA-UHFFFAOYSA-N- Molecular formula
- C13H12INO4S2
- Average molar mass
- 437.3 g/mol
Names & identifiers
- Preferred name
- 1-Benzenesulfonylamino-2-iodo-4-methanesulfonylbenzene
- IUPAC
- N-(2-iodo-4-methylsulfonylphenyl)benzenesulfonamide
Names & synonyms
SCHEMBL2926745OHKCXFVXSDZORA-UHFFFAOYSA-N1-benzenesulfonylamino-2-iodo-4-methanesulfonylbenzene2-benzenesulfonylamino-3-iodo-5-methanesulfonylbenzene
Database identifiers
- PubChem CID
- 22504376
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 544
Related reactions
18 records
Compound notes
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