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Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(-n2ccc3cnc(Cl)nc32)cc1- InChIKey
SMGVHXPNLYOQCS-UHFFFAOYSA-N- Molecular formula
- C13H10ClN3O2S
- Average molar mass
- 307.76 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-7-(4-methanesulfonyl-phenyl)-7H-pyrrolo[2,3-d]pyrimidine
- IUPAC
- 2-chloro-7-(4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidine
Names & synonyms
SCHEMBL3401229SMGVHXPNLYOQCS-UHFFFAOYSA-NDB-1927942-Chloro-7-(4-(methylsulfonyl)phenyl)-7h-pyrrolo[2,3-d]pyrimidine2-Chloro-7-(4-methanesulfonyl-phenyl)-7H-pyrrolo[2,3-d]pyrimidine1180134-30-8
Database identifiers
- PubChem CID
- 45257558
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 445
Related reactions
3 records
Compound notes
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