Basic information
- Standard SMILES
CC(C)(C)OC(=O)n1nc(I)c2cc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)ccc21- InChIKey
HVHBPPHCACXALZ-UHFFFAOYSA-N- Molecular formula
- C19H20IN3O6S2
- Average molar mass
- 577.4 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 3-iodo-5-(2-methylsulfonylbenzenesulfonylamino)indazole-1-carboxylate
- IUPAC
- tert-butyl 3-iodo-5-[(2-methylsulfonylphenyl)sulfonylamino]indazole-1-carboxylate
Names & synonyms
SCHEMBL4008201HVHBPPHCACXALZ-UHFFFAOYSA-Ntert-butyl 3-iodo-5-(2-methylsulfonylbenzenesulfonylamino)-indazole-1-carboxylatetert-butyl 3-iodo-5-(2-methylsulfonylbenzenesulfonylamino)indazole-1-carboxylate
Database identifiers
- PubChem CID
- 22567134
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 878
Related reactions
29 records
Linked notes
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