7-(4-Chlorobutyl)-5-(phenylsulfonyl)-5H-1,3-dioxolo[4,5-f]indole
Basic information
- CAS
112556-24-8- Standard SMILES
O=S(=O)(c1ccccc1)n1cc(CCCCCl)c2cc3c(cc21)OCO3- InChIKey
IBMLUJUPWKEITD-UHFFFAOYSA-N- Molecular formula
- C19H18ClNO4S
- Average molar mass
- 391.9 g/mol
- Monoisotopic mass
- 391.0645069
Names & identifiers
- Preferred name
- 7-(4-Chlorobutyl)-5-(phenylsulfonyl)-5H-1,3-dioxolo[4,5-f]indole
- IUPAC
- 5-(benzenesulfonyl)-7-(4-chlorobutyl)-[1,3]dioxolo[4,5-f]indole
Names & synonyms
DTXSID9011716277-(4-Chlorobutyl)-5-(phenylsulfonyl)-5H-1,3-dioxolo[4,5-f]indole5-(Benzenesulfonyl)-7-(4-chlorobutyl)-2H,5H-[1,3]dioxolo[4,5-f]indole112556-24-8
Database identifiers
- CAS
112556-24-8- PubChem CID
- 85540203
- DTXSID
DTXSID901171627
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 65.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 575
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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