AQ-776/11405709
Basic information
- CAS
40899-90-9- Standard SMILES
O=C(c1ccccc1)c1cc2ccccc2n1S(=O)(=O)c1ccccc1- InChIKey
KGCRCQNGSHMIKF-UHFFFAOYSA-N- Molecular formula
- C21H15NO3S
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.07726451
Names & identifiers
- Preferred name
- AQ-776/11405709
- IUPAC
- [1-(benzenesulfonyl)indol-2-yl]-phenylmethanone
Names & synonyms
40899-90-9DTXSID70306627AQ-776/11405709RefChem:319947DTXCID00257754phenyl[1-(phenylsulfonyl)-1H-indol-2-yl]methanone[1-(benzenesulfonyl)indol-2-yl]-phenylmethanoneNSC177965NSC-177965[1-(Benzenesulfonyl)-1H-indol-2-yl](phenyl)methanone
Database identifiers
- CAS
40899-90-9- PubChem CID
- 301341
- DTXSID
DTXSID70306627- Nikkaji
- J2.543.076J
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 599
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Related reactions
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Compound notes
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