Basic information
- Standard SMILES
CCC(=C(c1ccccc1)c1ccc(C=CC(=O)NS(=O)(=O)CCCCl)cc1)c1ccccc1- InChIKey
KVIAQQQTDHBHCD-UHFFFAOYSA-N- Molecular formula
- C28H28ClNO3S
- Average molar mass
- 494 g/mol
- Monoisotopic mass
- 493.1478426
Names & identifiers
- Preferred name
- 3-Chloro-propane-1-sulfonic acid {3-[4-(1,2-diphenyl-but-1-enyl)-phenyl]-acryloyl}-amide
- IUPAC
- N-(3-chloropropylsulfonyl)-3-[4-(1,2-diphenylbut-1-enyl)phenyl]prop-2-enamide
Names & synonyms
KVIAQQQTDHBHCD-UHFFFAOYSA-N3-chloro-propane-1-sulfonic acid {3-[4-(1,2-diphenyl-but-1-enyl)-phenyl]-acryloyl}-amide
Database identifiers
- PubChem CID
- 86601469
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 794
Related reactions
6 records
Compound notes
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