N-(4-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-chlorophenyl)benzenesulfonamide
Basic information
- CAS
262432-51-9- Standard SMILES
Nc1ncnc2c1c(-c1ccc(NS(=O)(=O)c3ccccc3)c(Cl)c1)cn2C1CCCC1- InChIKey
SKKDNFOQMBGWSJ-UHFFFAOYSA-N- Molecular formula
- C23H22ClN5O2S
- Average molar mass
- 468 g/mol
- Monoisotopic mass
- 467.1182738
Names & identifiers
- Preferred name
- N-(4-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-chlorophenyl)benzenesulfonamide
- IUPAC
- N-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-chlorophenyl]benzenesulfonamide
Names & synonyms
262432-51-9N-(4-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-chlorophenyl)benzenesulfonamideN-(4-{4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-chlorophenyl)benzenesulfonamiden1-(4-(4-amino-7-cyclopentyl-7h-pyrrolo[2,3-d]pyrimidin-5-yl)-2-chlorophenyl)-1-benzenesulfonamideN-[4-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-chlorophenyl]benzenesulfonamideSCHEMBL2074647DTXSID40432104DB-335306
Database identifiers
- CAS
262432-51-9- PubChem CID
- 9869221
- DTXSID
DTXSID40432104
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 737
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Compound notes
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