4-(Methanesulfonyl)-2-(4-methylbenzene-1-sulfonyl)-1-phenylbutan-1-one
Basic information
- CAS
5324-70-9- Standard SMILES
Cc1ccc(S(=O)(=O)C(CCS(C)(=O)=O)C(=O)c2ccccc2)cc1- InChIKey
HAHRXWGCOGMFGI-UHFFFAOYSA-N- Molecular formula
- C18H20O5S2
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.07521608
Names & identifiers
- Preferred name
- 4-(Methanesulfonyl)-2-(4-methylbenzene-1-sulfonyl)-1-phenylbutan-1-one
- IUPAC
- 2-(4-methylphenyl)sulfonyl-4-methylsulfonyl-1-phenylbutan-1-one
Names & synonyms
5324-70-9NSC2720DTXSID90277522NSC 2720NSC-27204-(Methanesulfonyl)-2-(4-methylbenzene-1-sulfonyl)-1-phenylbutan-1-one
Database identifiers
- CAS
5324-70-9- PubChem CID
- 220249
- DTXSID
DTXSID90277522
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 641
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Compound notes
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