Basic information
- CAS
88207-42-5- Standard SMILES
O=[N+]([O-])c1ccccc1-c1cc2ccccc2n1S(=O)(=O)c1ccccc1- InChIKey
XCNGLUNTOGJIJD-UHFFFAOYSA-N- Molecular formula
- C20H14N2O4S
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.06742811
Names & identifiers
- Preferred name
- 1-(Benzenesulfonyl)-2-(2-nitrophenyl)-1H-indole
- IUPAC
- 1-(benzenesulfonyl)-2-(2-nitrophenyl)indole
Names & synonyms
88207-42-5DTXSID005278481-(Benzenesulfonyl)-2-(2-nitrophenyl)-1H-indoleRefChem:226065DTXCID90478653
Database identifiers
- CAS
88207-42-5- PubChem CID
- 13207635
- DTXSID
DTXSID00527848
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 635
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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