Basic information
- Standard SMILES
CCCS(=O)(=O)Nc1ccc(F)c(-c2c(O)n(C)c3ncc(C(=O)OC)cc23)c1F- InChIKey
RIOSEXBYTATYAK-UHFFFAOYSA-N- Molecular formula
- C19H19F2N3O5S
- Average molar mass
- 439.4 g/mol
Names & identifiers
- Preferred name
- 3-[2,6-difluoro-3-(propane-1-sulfonylamino)-phenyl]-hydroxy-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid methyl ester
- IUPAC
- methyl 3-[2,6-difluoro-3-(propylsulfonylamino)phenyl]-2-hydroxy-1-methylpyrrolo[2,3-b]pyridine-5-carboxylate
Names & synonyms
SCHEMBL296822RIOSEXBYTATYAK-UHFFFAOYSA-N3-[2,6-difluoro-3-(propane-1-sulfonylamino)-phenyl]-hydroxy-methyl-1H-pyrrolo[2,3-b]-pyridine-5-carboxylic acid methyl ester3-[2,6-difluoro-3-(propane-1-sulfonylamino)-phenyl]-hydroxy-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid methyl ester3-[2,6-difluoro-3-(propane-1-sulfonylamino)-phenyl]hydroxy-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 66646352
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 721
Related reactions
4 records
Compound notes
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