2-chloro-N-methyl-N-phenyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
Basic information
- CAS
565179-06-8- Standard SMILES
CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCN(c3ncccn3)CC2)ccc1Cl- InChIKey
QFZRRSPPLWKIDH-UHFFFAOYSA-N- Molecular formula
- C22H22ClN5O3S
- Average molar mass
- 472 g/mol
- Monoisotopic mass
- 471.1131884
Names & identifiers
- Preferred name
- 2-chloro-N-methyl-N-phenyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
- IUPAC
- 2-chloro-N-methyl-N-phenyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
Names & synonyms
2-chloro-N-methyl-N-phenyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamideMLS002246340CHEMBL1705151DTXSID801328461HMS3054B08AKOS033964991565179-06-8SMR001309957Z264454292-chloro-N-methyl-N-phenyl-5-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]benzene-1-sulfonamide
Database identifiers
- CAS
565179-06-8- PubChem CID
- 2432019
- DTXSID
DTXSID801328461- ChEMBL
CHEMBL1705151
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 728
Experimental & physicochemical properties
Solubility33.5 [ug/mL] (The mean of the results at pH 7.4)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…