Basic information
- Standard SMILES
COc1nc(Cl)nc(Nc2ccccc2S(=O)(=O)C(C)C)n1- InChIKey
CDKZGJASQGWPOM-UHFFFAOYSA-N- Molecular formula
- C13H15ClN4O3S
- Average molar mass
- 342.8 g/mol
- Monoisotopic mass
- 342.0553392
Names & identifiers
- Preferred name
- 4-chloro-N-[2-(isopropylsulfonyl)phenyl]-6-methoxy-1,3,5-triazine-2-amine
- IUPAC
- 4-chloro-6-methoxy-N-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazin-2-amine
Names & synonyms
SCHEMBL2821783CDKZGJASQGWPOM-UHFFFAOYSA-N4-chloro-N-[2-(isopropylsulfonyl)phenyl]-6-methoxy-1,3,5-triazine-2-amine
Database identifiers
- PubChem CID
- 86640945
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 457
Related reactions
2 records
Compound notes
Loading…