Basic information
- Standard SMILES
COC(=O)c1ccccc1S(=O)(=O)Nc1nc2nc(Cl)nc(Cl)c2n1C- InChIKey
BJBNTOOBHVCKBU-UHFFFAOYSA-N- Molecular formula
- C14H11Cl2N5O4S
- Average molar mass
- 416.2 g/mol
Names & identifiers
- Preferred name
- N1-(2,6-dichloro-7-methyl-8-purinyl)-2-carbomethoxybenzenesulfonamide
- IUPAC
- methyl 2-[(2,6-dichloro-7-methylpurin-8-yl)sulfamoyl]benzoate
Names & synonyms
SCHEMBL9380752BJBNTOOBHVCKBU-UHFFFAOYSA-NN1 -(2,6-dichloro-7-methyl-8-purinyl)-2-carbomethoxybenzenesulfonamide
Database identifiers
- PubChem CID
- 15067721
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 633
Related reactions
2 records
Linked notes
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