3-chloro-6-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
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Basic information
- CAS
546080-09-5- Standard SMILES
Cc1ccc2c(Cl)c(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)sc2c1- InChIKey
YGCNNIVBUMCKKS-UHFFFAOYSA-N- Molecular formula
- C20H15ClN4O3S2
- Average molar mass
- 458.9 g/mol
- Monoisotopic mass
- 458.0274104
Names & identifiers
- Preferred name
- 3-chloro-6-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
- IUPAC
- 3-chloro-6-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
- English name
- 3-chloro-6-methyl-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}-1-benzothiophene-2-carboxamide
- Molecular formula
- C20H15ClN4O3S2
- Molecular weight
- 458.94
Names & synonyms
3-chloro-6-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide546080-09-5Oprea1_239250STK437736AKOS003275670AK-968/41320247Z11238988503-chloro-6-methyl-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}-1-benzothiophene-2-carboxamideBenzo[b]thiophene-2-carboxamide, 3-chloro-6-methyl-N-[4-[(2-pyrimidinylamino)sulfonyl]phenyl]-
Database identifiers
- CAS
546080-09-5- PubChem CID
- 997647
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 705
Physicochemical properties
- Density
- 1.552 · 1.552±0.06 g/cm3(Predicted)
- pka
- 6 · 6.00±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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