Basic information
- Standard SMILES
C#Cc1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1- InChIKey
RCHMTPSSVQLFSD-UHFFFAOYSA-N- Molecular formula
- C15H11NO3S
- Average molar mass
- 285.3 g/mol
- Monoisotopic mass
- 285.04596439
Names & identifiers
- Preferred name
- N-benzenesulfonyl-4-ethinylbenzoic acid amide
- IUPAC
- N-(benzenesulfonyl)-4-ethynylbenzamide
Names & synonyms
SCHEMBL8825170RCHMTPSSVQLFSD-UHFFFAOYSA-NN-benzenesulfonyl-4-ethinylbenzoic acid amide
Database identifiers
- PubChem CID
- 54259246
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 483
Related reactions
2 records
Compound notes
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