4-chloro-1-tosyl-1H-pyrrolo[2,3-b]pyridine
Basic information
- CAS
348640-05-1- Standard SMILES
Cc1ccc(S(=O)(=O)n2ccc3c(Cl)ccnc32)cc1- InChIKey
RXOUGGMZMDZDCE-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2O2S
- Average molar mass
- 306.8 g/mol
- Monoisotopic mass
- 306.0229765
Names & identifiers
- Preferred name
- 4-chloro-1-tosyl-1H-pyrrolo[2,3-b]pyridine
- IUPAC
- 4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
- English name
- 4-Chloro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
- Molecular formula
- C14H11ClN2O2S
- Molecular weight
- 306.77
Names & synonyms
348640-05-14-chloro-1-tosyl-1H-pyrrolo[2,3-b]pyridineN-Tosyl-4-chloro-7-azaindole4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridineMFCD092608514-Chloro-1-tosyl-7-azaindole4-Chloro-1-(4-tolylsulfonyl)-1H-pyrrolo[2,3-b]pyridine4-chloro-1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine1H-Pyrrolo[2,3-b]pyridine, 4-chloro-1-[(4-methylphenyl)sulfonyl]-4-Chloro-1-(4-methylphenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine4-chloro-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridineSCHEMBL1749228
Show more names
4-CHLORO-1-BENZENESULFONYL-7-AZAINDOLE4-Chloro-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine4-chloro-1-methylbenzenesulfonylacyl-1H-pyridinebenzo[2,3-B]pyridine4-Chloro-1-[(4-Methylphenyl)Sulfonyl]-1H-Pyrrolo[2,3-B]Pyridine(WX636027)
SCHEMBL4136358SCHEMBL29634511DTXSID60429112RXOUGGMZMDZDCE-UHFFFAOYSA-N4-chloro-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridineAKOS016001723AS-65485SY124512
Database identifiers
- CAS
348640-05-1- PubChem CID
- 8167268
- DTXSID
DTXSID60429112- Nikkaji
- J2.293.600J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Boiling point
- 483.6 · 483.6±55.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 1.8 · 1.80±0.30(Predicted)
Related reactions
5 records
Compound notes
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