2-chloro-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide
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Basic information
- CAS
535925-58-7- Standard SMILES
CN(C)S(=O)(=O)c1ccc2[nH]c(Cl)c(C=O)c2c1- InChIKey
KBNBTTCUQKBXKB-UHFFFAOYSA-N- Molecular formula
- C11H11ClN2O3S
- Average molar mass
- 286.74 g/mol
- Monoisotopic mass
- 286.0178911
Names & identifiers
- Preferred name
- 2-chloro-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide
- IUPAC
- 2-chloro-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide
- English name
- 2-CHLORO-3-FORMYL-1H-INDOLE-5-SULFONIC ACID DIMETHYLAMIDE
- Molecular formula
- C11H11ClN2O3S
- Molecular weight
- 286.73
Names & synonyms
2-chloro-3-formyl-N,N-dimethyl-1H-indole-5-sulfonamide535925-58-7SCHEMBL29956807AKOS0051439331H-Indole-5-sulfonamide, 2-chloro-3-formyl-N,N-dimethyl-2-CHLORO-3-FORMYL-1H-INDOLE-5-SULFONIC ACID DIMETHYLAMIDE
Database identifiers
- CAS
535925-58-7- PubChem CID
- 3282149
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Boiling point
- 503.6 · 503.6±60.0 °C(Predicted)
- Density
- 1.501 · 1.501±0.06 g/cm3(Predicted)
- pka
- 12 · 12+-.0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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