Basic information
- Standard SMILES
COc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(Cl)cc(S(C)(=O)=O)c1- InChIKey
OUHODZVPLUNXDU-UHFFFAOYSA-N- Molecular formula
- C21H18ClFN2O4S
- Average molar mass
- 448.9 g/mol
- Monoisotopic mass
- 448.0659841
Names & identifiers
- Preferred name
- 3-Chloro-N-[4-(4-fluoro-2-methoxy-phenyl)-pyridin-3-yl]-5-methanesulfonyl-N-methyl-benzamide
- IUPAC
- 3-chloro-N-[4-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]-N-methyl-5-methylsulfonylbenzamide
Names & synonyms
3-Chloro-N-[4-(4-fluoro-2-methoxy-phenyl)-pyridin-3-yl]-5-methanesulfonyl-N-methyl-benzamideCHEMBL5858049SCHEMBL12098186OUHODZVPLUNXDU-UHFFFAOYSA-NBDBM411261US10385022, Example 257
Database identifiers
- PubChem CID
- 60196997
- ChEMBL
CHEMBL5858049
Properties
Computed structural properties
- XLogP
- 3.4
- 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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