6-(Benzenesulfonyl)-2-(4-chlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
Basic information
- CAS
664972-64-9- Standard SMILES
O=S(=O)(c1ccccc1)c1cnc2cc(-c3ccc(Cl)cc3)nn2c1-c1cccs1- InChIKey
NUOFKFWXEPHDOU-UHFFFAOYSA-N- Molecular formula
- C22H14ClN3O2S2
- Average molar mass
- 452 g/mol
- Monoisotopic mass
- 451.0215967
Names & identifiers
- Preferred name
- 6-(Benzenesulfonyl)-2-(4-chlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
- IUPAC
- 6-(benzenesulfonyl)-2-(4-chlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
- English name
- 2-(4-chlorophenyl)-7-(2-thienyl)pyrazolo[1,5-a]pyrimidin-6-yl phenyl sulfone
- Molecular formula
- C22H14ClN3O2S2
- Molecular weight
- 451.94846
Names & synonyms
2-(4-chlorophenyl)-7-(2-thienyl)pyrazolo[1,5-a]pyrimidin-6-yl phenyl sulfone6-(benzenesulfonyl)-2-(4-chlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidineAJ-916/40876383
Database identifiers
- CAS
664972-64-9- PubChem CID
- 1214639
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 689
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Compound notes
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