Basic information
- CAS
889447-21-6- Standard SMILES
Cc1ccc(S(=O)(=O)n2cc(I)c3nc(Cl)cnc32)cc1- InChIKey
UJULUXSKCYVDPH-UHFFFAOYSA-N- Molecular formula
- C13H9ClIN3O2S
- Average molar mass
- 433.65 g/mol
- Monoisotopic mass
- 432.91487321
Names & identifiers
- Preferred name
- 2-Chloro-7-iodo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine
- IUPAC
- 2-chloro-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
Names & synonyms
2-Chloro-7-iodo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine889447-21-62-Chloro-7-iodo-5-(toluene-4-sulfonyl)-5H-pyrrolo[2,3-b]pyrazineSCHEMBL1605699UJULUXSKCYVDPH-UHFFFAOYSA-NDTXSID701155502DB-3032142-Chloro-7-iodo-5-(toluene4-sulfonyl)-5H-pyrrolo [2,3-b]pyrazine2-Chloro-7-iodo-5-(4-methylbenzene-1-sulfonyl)-5H-pyrrolo[2,3-b]pyrazine2-Chloro-7-iodo-5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazine
Database identifiers
- CAS
889447-21-6- PubChem CID
- 59463524
- DTXSID
DTXSID701155502
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 478
Related reactions
4 records
Compound notes
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