1-(2,5-Dichloro-4-methoxyphenyl)sulfonylpyrrolidine
Basic information
- CAS
667892-60-6- Standard SMILES
COc1cc(Cl)c(S(=O)(=O)N2CCCC2)cc1Cl- InChIKey
YCIUBBRKHNHZIQ-UHFFFAOYSA-N- Molecular formula
- C11H13Cl2NO3S
- Average molar mass
- 310.2 g/mol
- Monoisotopic mass
- 308.9993198
Names & identifiers
- Preferred name
- 1-(2,5-Dichloro-4-methoxyphenyl)sulfonylpyrrolidine
- IUPAC
- 1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidine
- English name
- 2,5-dichloro-4-(1-pyrrolidinylsulfonyl)phenyl methyl ether
- Molecular formula
- C11H13Cl2NO3S
- Molecular weight
- 310.2
Names & synonyms
1-(2,5-dichloro-4-methoxyphenyl)sulfonylpyrrolidine667892-60-6MLS0007155831-(2,5-dichloro-4-methoxybenzenesulfonyl)pyrrolidineCHEMBL1575062DTXSID301332302AKOS000602469SMR000275562ST061826AP-263/41946529SR-01000364351SR-01000364351-1
Show more names
Pyrrolidine, 1-[(2,5-dichloro-4-methoxyphenyl)sulfonyl]-
1-(2,5-Dichloro-4-methoxybenzene-1-sulfonyl)pyrrolidine2,5-dichloro-4-methoxy-1-(pyrrolidinylsulfonyl)benzeneZ1994678962,5-dichloro-4-(1-pyrrolidinylsulfonyl)phenyl methyl ether
Database identifiers
- CAS
667892-60-6- PubChem CID
- 700213
- DTXSID
DTXSID301332302- ChEMBL
CHEMBL1575062
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 378
Experimental & physicochemical properties
Solubility42.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 436.8 · 436.8±55.0 °C(Predicted)
- Density
- 1.443 · 1.443±0.06 g/cm3(Predicted)
- pka
- -5.96 · -5.96±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…