Basic information
- Standard SMILES
Cc1cnc(Cl)nc1-c1cc2ccc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)cc2s1- InChIKey
VLNASRYFZALUTL-UHFFFAOYSA-N- Molecular formula
- C26H20ClN3O2S2
- Average molar mass
- 506 g/mol
- Monoisotopic mass
- 505.0685469
Names & identifiers
- Preferred name
- 2-(2-Chloro-5-methylpyrimidin-4-yl)-benzo[b]thiophene-6-sulfonic acid benzhydrylamide
- IUPAC
- N-benzhydryl-2-(2-chloro-5-methylpyrimidin-4-yl)-1-benzothiophene-6-sulfonamide
Names & synonyms
SCHEMBL3970087VLNASRYFZALUTL-UHFFFAOYSA-N2-(2-chloro-5-methylpyrimidin-4-yl)-benzo[b]thiophene-6-sulfonic acid benzhydrylamide
Database identifiers
- PubChem CID
- 86625355
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 748
Related reactions
3 records
Compound notes
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