2,3-Dimethyl-1-(phenylsulfonyl)indoline
Basic information
- CAS
94460-78-3- Standard SMILES
CC1c2ccccc2N(S(=O)(=O)c2ccccc2)C1C- InChIKey
AVYMMPQENKSLPD-UHFFFAOYSA-N- Molecular formula
- C16H17NO2S
- Average molar mass
- 287.4 g/mol
- Monoisotopic mass
- 287.09799996
Names & identifiers
- Preferred name
- 2,3-Dimethyl-1-(phenylsulfonyl)indoline
- IUPAC
- 1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole
- English name
- 1-Phenylsulfonyl-2,3-dimethylindoline (mixture of isomers)
- Molecular formula
- C16H17NO2S
- Molecular weight
- 287.38
Names & synonyms
2,3-Dimethyl-1-(phenylsulfonyl)indoline94460-78-3MLS0026938431-(Benzenesulfonyl)-2,3-dimethyl-2,3-dihydro-1H-indoleNSC73120NCIOpen2_003824CHEMBL1736527DTXSID80915507HMS3085J05NSC-73120AKOS024332134SMR001559784
Show more names
cis-2,3-dimethyl-1-(phenylsulfonyl)indoline1H-Indole, 2,3-dihydro-2,3-dimethyl-1-(phenylsulfonyl)-1-Phenylsulfonyl-2,3-dimethylindoline (mixture of isomers)
Database identifiers
- CAS
94460-78-3- PubChem CID
- 252020
- DTXSID
DTXSID80915507- ChEMBL
CHEMBL1736527- Nikkaji
- J575.812B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- Boiling point
- 405.4 · 405.4±38.0 °C(Predicted)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- pka
- -1.74 · -1.74±0.60(Predicted)
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Related reactions
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Compound notes
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