Benzenesulfonamide, 3-[4-bromo-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-
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Basic information
- CAS
1203569-74-7- Standard SMILES
Cc1ccc(S(=O)(=O)n2c(-c3cccc(S(N)(=O)=O)c3)cc3c(Br)ccnc32)cc1- InChIKey
DVQKXHRPUHDNDU-UHFFFAOYSA-N- Molecular formula
- C20H16BrN3O4S2
- Average molar mass
- 506.4 g/mol
Names & identifiers
- Preferred name
- Benzenesulfonamide, 3-[4-bromo-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-
- IUPAC
- 3-[4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide
- English name
- BenzenesulfonaMide, 3-[4-broMo-1-[(4-Methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-
- Molecular formula
- C20H16BrN3O4S2
- Molecular weight
- 506.39
Names & synonyms
1203569-74-7Benzenesulfonamide, 3-[4-bromo-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-SCHEMBL2240276DVQKXHRPUHDNDU-UHFFFAOYSA-NBenzenesulfonamide,3-[4-bromo-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-(4-Bromo-1-tosyl-1H-pyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide3-[4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]benzenesulfonamide
Database identifiers
- CAS
1203569-74-7
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 818
Physicochemical properties
- Boiling point
- 751.5 · 751.5±70.0 °C(Predicted)
- Density
- 1.66 · 1.66±0.1 g/cm3(Predicted)
- pka
- 9.81 · 9.81±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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