5-[5-(4-Chloro-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid amide
Basic information
- Standard SMILES
NS(=O)(=O)c1ccc(C#Cc2cnn3ccc(-c4ccc(Cl)cc4)nc23)s1- InChIKey
HQTSSTHNXQVNAL-UHFFFAOYSA-N- Molecular formula
- C18H11ClN4O2S2
- Average molar mass
- 414.9 g/mol
- Monoisotopic mass
- 414.0011956
Names & identifiers
- Preferred name
- 5-[5-(4-Chloro-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid amide
- IUPAC
- 5-[2-[5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]thiophene-2-sulfonamide
Names & synonyms
SCHEMBL1348859HQTSSTHNXQVNAL-UHFFFAOYSA-N5-[5-(4-Chloro-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-thiophene-2-sulfonic acid amide
Database identifiers
- PubChem CID
- 67001042
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 708
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Related reactions
5 records
Compound notes
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