Basic information
- Standard SMILES
CN1CCC(c2c[nH]c3ccc(OS(=O)(=O)c4c(F)cccc4F)cc23)CC1- InChIKey
JZUAGNKBVRSAJD-UHFFFAOYSA-N- Molecular formula
- C20H20F2N2O3S
- Average molar mass
- 406.4 g/mol
Names & identifiers
- Preferred name
- 2,6-difluorobenzenesulfonic acid 3-(1-methylpiperidin-4-yl)-1H-indol-5-ylester
- IUPAC
- [3-(1-methylpiperidin-4-yl)-1H-indol-5-yl] 2,6-difluorobenzenesulfonate
Names & synonyms
SCHEMBL5365362JZUAGNKBVRSAJD-UHFFFAOYSA-N2,6-Difluorobenzenesulfonic acid 3-(1-methylpiperidin-4-yl)-1H-indol-5-yl ester2,6-difluorobenzenesulfonic acid 3-(1-methylpiperidin-4-yl)-1H-indol-5-ylester
Database identifiers
- PubChem CID
- 10294751
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 626
Related reactions
3 records
Compound notes
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