Basic information
- Standard SMILES
CN(C)S(=O)(=O)c1ccc(C#Cc2ccccc2C=O)cc1- InChIKey
MTDMZRSPNMHKAQ-UHFFFAOYSA-N- Molecular formula
- C17H15NO3S
- Average molar mass
- 313.4 g/mol
Names & identifiers
- Preferred name
- 4-(2-formyl-phenylethynyl)-N,N-dimethyl-benzenesulfonamide
- IUPAC
- 4-[2-(2-formylphenyl)ethynyl]-N,N-dimethylbenzenesulfonamide
Names & synonyms
SCHEMBL709923MTDMZRSPNMHKAQ-UHFFFAOYSA-N4-(2-formyl-phenylethynyl)-N,N-dimethyl-benzenesulfonamide
Database identifiers
- PubChem CID
- 59350855
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 541
Related reactions
3 records
Compound notes
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