Basic information
- Standard SMILES
Cc1cc(C)c(S(=O)(=O)n2ncc3ccc(I)cc32)c(C)c1- InChIKey
PEZWMKNPZSCGEJ-UHFFFAOYSA-N- Molecular formula
- C16H15IN2O2S
- Average molar mass
- 426.3 g/mol
Names & identifiers
- Preferred name
- 6-iodo-1-(2,4,6-trimethyl-benzenesulfonyl)-1H-indazole
- IUPAC
- 6-iodo-1-(2,4,6-trimethylphenyl)sulfonylindazole
Names & synonyms
SCHEMBL5248423PEZWMKNPZSCGEJ-UHFFFAOYSA-N6-iodo-1-(2,4,6-trimethyl-benzenesulfonyl)-1H-indazole
Database identifiers
- PubChem CID
- 21877396
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 495
Related reactions
11 records
Compound notes
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