Basic information
- Standard SMILES
O=CC#Cc1cccc(S(=O)(=O)Nc2ccccc2)c1- InChIKey
VGSSGMWRWUJZPD-UHFFFAOYSA-N- Molecular formula
- C15H11NO3S
- Average molar mass
- 285.3 g/mol
- Monoisotopic mass
- 285.04596439
Names & identifiers
- Preferred name
- 3-(3-Oxoprop-1-ynyl)-N-phenylbenzenesulfonamide
- IUPAC
- 3-(3-oxoprop-1-ynyl)-N-phenylbenzenesulfonamide
Names & synonyms
SCHEMBL1403178VGSSGMWRWUJZPD-UHFFFAOYSA-N3-(3-Oxoprop-1-ynyl)-N-phenylbenzenesulfonamide
Database identifiers
- PubChem CID
- 22492464
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 488
Related reactions
9 records
Compound notes
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