Basic information
- Standard SMILES
O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(-c3ccccc3)c3cnccc32)cc1- InChIKey
CMBNZTDWNHWGBI-UHFFFAOYSA-N- Molecular formula
- C27H20FN3O3S
- Average molar mass
- 485.5 g/mol
- Monoisotopic mass
- 485.12094084
Names & identifiers
- Preferred name
- N-(4-Fluoro-benzyl)-4-(3-phenyl-pyrrolo[3,2-c]pyridine-1-sulfonyl)-benzamide
- IUPAC
- N-[(4-fluorophenyl)methyl]-4-(3-phenylpyrrolo[3,2-c]pyridin-1-yl)sulfonylbenzamide
Names & synonyms
SCHEMBL1413309CMBNZTDWNHWGBI-UHFFFAOYSA-NN-(4-Fluoro-benzyl)-4-(3-phenyl-pyrrolo[3,2-c]pyridine-1-sulfonyl)-benzamide
Database identifiers
- PubChem CID
- 58975231
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 812
Related reactions
3 records
Compound notes
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