Basic information
- Standard SMILES
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(I)cc(S(C)(=O)=O)c1- InChIKey
SGZCCMBQAOCZRB-UHFFFAOYSA-N- Molecular formula
- C21H18FIN2O4S
- Average molar mass
- 540.3 g/mol
- Monoisotopic mass
- 540.0016
Names & identifiers
- Preferred name
- N-[4-(4-fluoro-2-methoxy-phenyl)-pyridin-3-yl]-3-iodo-5-methanesulfonyl-N-methyl-benzamide
- IUPAC
- N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-3-iodo-N-methyl-5-methylsulfonylbenzamide
Names & synonyms
SCHEMBL12097790SGZCCMBQAOCZRB-UHFFFAOYSA-NN-[4-(4-fluoro-2-methoxy-phenyl)-pyridin-3-yl]-3-iodo-5-methanesulfonyl-N-methyl-benzamide
Database identifiers
- PubChem CID
- 70663452
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 704
Related reactions
1 records
Compound notes
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