Ethanesulfonic acid (6-chloro-5-p-tolyl-pyrimidin-4-yl)-amide
Basic information
- Standard SMILES
CCS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(C)cc1- InChIKey
WLNVWARHPFRSLG-UHFFFAOYSA-N- Molecular formula
- C13H14ClN3O2S
- Average molar mass
- 311.79 g/mol
Names & identifiers
- Preferred name
- Ethanesulfonic acid (6-chloro-5-p-tolyl-pyrimidin-4-yl)-amide
- IUPAC
- N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]ethanesulfonamide
Names & synonyms
SCHEMBL14289222WLNVWARHPFRSLG-UHFFFAOYSA-Nethanesulfonic acid (6-chloro-5-p-tolyl-pyrimidin-4-yl)-amide
Database identifiers
- PubChem CID
- 59645274
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 404
Related reactions
4 records
Compound notes
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