Basic information
- Standard SMILES
Cc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cnc(Nc4ccc(S(=O)(=O)CCCN5CCCC5)cc4)nc3)c2)c1- InChIKey
IQWHFRSRAJYJNY-UHFFFAOYSA-N- Molecular formula
- C32H33ClN6O4S
- Average molar mass
- 633.2 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-5-(3-Methyl-Benzoylamino)-N-{2-[4-(3-Pyrrolidin-1-yl-Propane-1-Sulfonyl)-Phenylamino]-Pyrimidin-5-yl}-Benzamide
- IUPAC
- 2-chloro-5-[(3-methylbenzoyl)amino]-N-[2-[4-(3-pyrrolidin-1-ylpropylsulfonyl)anilino]pyrimidin-5-yl]benzamide
Names & synonyms
SCHEMBL2498530IQWHFRSRAJYJNY-UHFFFAOYSA-N2-Chloro-5-(3-Methyl-Benzoylamino)-N-{2-[4-(3-Pyrrolidin-1-yl-Propane-1-Sulfonyl)-Phenylamino]-Pyrimidin-5-yl}-Benzamide
Database identifiers
- PubChem CID
- 24960366
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
2 records
Compound notes
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