1-[(2,4-Dimethylphenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline
Basic information
- CAS
438225-44-6- Standard SMILES
Cc1ccc(S(=O)(=O)N2CCCc3ccccc32)c(C)c1- InChIKey
GUMGXZKFYGORTG-UHFFFAOYSA-N- Molecular formula
- C17H19NO2S
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.11365002
Names & identifiers
- Preferred name
- 1-[(2,4-Dimethylphenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline
- IUPAC
- 1-(2,4-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
Names & synonyms
1-[(2,4-dimethylphenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline438225-44-61-(2,4-Dimethylbenzene-1-sulfonyl)-1,2,3,4-tetrahydroquinolineOprea1_7808091-(2,4-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolineDTXSID401183617STK431726AKOS001460983NCGC00302121-01ST50831244AB01300032-01AK-968/41171133
Show more names
Z45498307
Database identifiers
- CAS
438225-44-6- PubChem CID
- 842873
- DTXSID
DTXSID401183617
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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