5-chloro-2-(chloromethyl)-7-fluoro-1-(2-(methylsulfonyl)ethyl)-1H-indole
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Basic information
- Standard SMILES
CS(=O)(=O)CCn1c(CCl)cc2cc(Cl)cc(F)c21- InChIKey
LDLLPYKXJMGTKF-UHFFFAOYSA-N- Molecular formula
- C12H12Cl2FNO2S
- Average molar mass
- 324.2 g/mol
- Monoisotopic mass
- 322.9949833
Names & identifiers
- Preferred name
- 5-chloro-2-(chloromethyl)-7-fluoro-1-(2-(methylsulfonyl)ethyl)-1H-indole
- IUPAC
- 5-chloro-2-(chloromethyl)-7-fluoro-1-(2-methylsulfonylethyl)indole
Names & synonyms
5-chloro-2-(chloromethyl)-7-fluoro-1-(2-(methylsulfonyl)ethyl)-1H-indole5-chloro-2-(chloromethyl)-7-fluoro-1-[2-(methylsulfonyl)ethyl]-1H-indoleSCHEMBL15415665LDLLPYKXJMGTKF-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 89923943
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 47.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 414
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Related reactions
2 records
Compound notes
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