5,7-Difluoro-3-iodo-1-(phenylsulfonyl)-1H-indole
Basic information
- CAS
500139-01-5- Standard SMILES
O=S(=O)(c1ccccc1)n1cc(I)c2cc(F)cc(F)c21- InChIKey
MAJBTMPMUUCYME-UHFFFAOYSA-N- Molecular formula
- C14H8F2INO2S
- Average molar mass
- 419.19 g/mol
- Monoisotopic mass
- 418.92885394
Names & identifiers
- Preferred name
- 5,7-Difluoro-3-iodo-1-(phenylsulfonyl)-1H-indole
- IUPAC
- 1-(benzenesulfonyl)-5,7-difluoro-3-iodoindole
- English name
- 1H-Indole, 5,7-difluoro-3-iodo-1-(phenylsulfonyl)-
- Molecular formula
- C14H8F2INO2S
- Molecular weight
- 419.19
Names & synonyms
5,7-Difluoro-3-iodo-1-(phenylsulfonyl)-1H-indole500139-01-51-(BENZENESULFONYL)-5,7-DIFLUORO-3-IODOINDOLE1H-Indole, 5,7-difluoro-3-iodo-1-(phenylsulfonyl)-1-(Benzenesulfonyl)-5,7-difluoro-3-iodo-1H-indoleMFCD13177483SCHEMBL5643286DTXSID90621501MAJBTMPMUUCYME-UHFFFAOYSA-NAVA13901DB-349752n-benzenesulfonyl-3-iodo-5,7-difluoroindole
Show more names
N-benzenesulfonyl-3-iodo-5,7-difluoro-indoleEN300-202397F18133
Database identifiers
- CAS
500139-01-5- PubChem CID
- 22014784
- DTXSID
DTXSID90621501
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 47.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 478
Physicochemical properties
- storage temp.
- 2 · 2-8°C(protect from light)
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
Related reactions
5 records
Compound notes
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