Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2ccc3c(Nc4cc(C)ccc4C(N)=O)nc(Cl)nc32)cc1- InChIKey
SOTKXHDHCQCIGO-UHFFFAOYSA-N- Molecular formula
- C21H18ClN5O3S
- Average molar mass
- 455.9 g/mol
Names & identifiers
- Preferred name
- 2-({2-chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-4-methylbenzamide
- IUPAC
- 2-[[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-4-methylbenzamide
Names & synonyms
SCHEMBL2206464SOTKXHDHCQCIGO-UHFFFAOYSA-N2-({2-chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-4-methylbenzamide
Database identifiers
- PubChem CID
- 86644183
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 755
Related reactions
2 records
Compound notes
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