5-Butyl-2,3-dihydro-2-((4-methylphenyl)sulfonyl)-1H-isoindole
Basic information
- CAS
276888-01-8- Standard SMILES
CCCCc1ccc2c(c1)CN(S(=O)(=O)c1ccc(C)cc1)C2- InChIKey
GBXSJMOPHGGKTN-UHFFFAOYSA-N- Molecular formula
- C19H23NO2S
- Average molar mass
- 329.5 g/mol
- Monoisotopic mass
- 329.14495015
Names & identifiers
- Preferred name
- 5-Butyl-2,3-dihydro-2-((4-methylphenyl)sulfonyl)-1H-isoindole
- IUPAC
- 5-butyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
Names & synonyms
276888-01-85-Butyl-2,3-dihydro-2-[(4-methylphenyl)sulfonyl]-1H-isoindole5-Butyl-2,3-dihydro-2-((4-methylphenyl)sulfonyl)-1H-isoindoleRefChem:302111DTXSID1011817555-Butyl-2-(4-methylbenzene-1-sulfonyl)-2,3-dihydro-1H-isoindole
Database identifiers
- CAS
276888-01-8- PubChem CID
- 10991122
- DTXSID
DTXSID101181755- Nikkaji
- J1.971.670H
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 476
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Compound notes
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