Basic information
- Standard SMILES
COc1cc(Cl)c(F)cc1C(=O)c1ccc(NC2CCN(S(C)(=O)=O)CC2)nc1N- InChIKey
SIQXJFHSYFSTNU-UHFFFAOYSA-N- Molecular formula
- C19H22ClFN4O4S
- Average molar mass
- 456.9 g/mol
Names & identifiers
- Preferred name
- [2-Amino-6-(1-methanesulfonyl-piperidin-4-ylamino)-pyridin-3-yl]-(4-chloro-5-fluoro-2-methoxy-phenyl)-methanone
- IUPAC
- [2-amino-6-[(1-methylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(4-chloro-5-fluoro-2-methoxyphenyl)methanone
Names & synonyms
SCHEMBL3835722SIQXJFHSYFSTNU-UHFFFAOYSA-N[2-Amino-6-(1-methanesulfonyl-piperidin-4-ylamino)-pyridin-3-yl]-(4-chloro-5-fluoro-2-methoxy-phenyl)-methanone
Database identifiers
- PubChem CID
- 11705192
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 701
Related reactions
2 records
Compound notes
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