[2-(Benzenesulfonyl)-1-phenylcyclopropyl]benzene
Basic information
- CAS
13067-54-4- Standard SMILES
O=S(=O)(c1ccccc1)C1CC1(c1ccccc1)c1ccccc1- InChIKey
RRPQCLWZSFHNCP-UHFFFAOYSA-N- Molecular formula
- C21H18O2S
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.10275099
Names & identifiers
- Preferred name
- [2-(Benzenesulfonyl)-1-phenylcyclopropyl]benzene
- IUPAC
- [2-(benzenesulfonyl)-1-phenylcyclopropyl]benzene
Names & synonyms
MLS00270664913067-54-4NSC116463CHEMBL1878740NSC-1164631-phenylsulfonyl-2,2-diphenylcyclopropaneSMR001574050
Database identifiers
- CAS
13067-54-4- PubChem CID
- 272192
- ChEMBL
CHEMBL1878740- Nikkaji
- J3.003.572K
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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