Basic information
- CAS
332354-62-8- Standard SMILES
COc1ccc(S(=O)(=O)N2CCCC2)cc1Br- InChIKey
GYINHXUIFCYFJX-UHFFFAOYSA-N- Molecular formula
- C11H14BrNO3S
- Average molar mass
- 320.2 g/mol
- Monoisotopic mass
- 318.98778
Names & identifiers
- Preferred name
- 1-((3-Bromo-4-methoxyphenyl)sulfonyl)pyrrolidine
- IUPAC
- 1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidine
- English name
- 1-[(3-bromo-4-methoxyphenyl)sulfonyl]pyrrolidine
- Molecular formula
- C11H14BrNO3S
- Molecular weight
- 320.2
Names & synonyms
1-((3-bromo-4-methoxyphenyl)sulfonyl)pyrrolidine332354-62-8MFCD020472451-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidine1-[(3-bromo-4-methoxyphenyl)sulfonyl]pyrrolidine1-[(3-Bromo-4-methoxybenzene)sulfonyl]pyrrolidineCBMicro_021506Oprea1_305333Oprea1_7822211-(3-Bromo-4-methoxy-benzenesulfonyl)-pyrrolidineMLS001210105CHEMBL1336408
Show more names
Pyrrolidine, 1-[(3-bromo-4-methoxyphenyl)sulfonyl]-
SCHEMBL31588151DTXSID101332499HMS2846I16CCG-13608AKOS000383531SMR000516696ST060695BIM-0021685.P001
Database identifiers
- CAS
332354-62-8- PubChem CID
- 765795
- DTXSID
DTXSID101332499- ChEMBL
CHEMBL1336408
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 348
Experimental & physicochemical properties
Solubility33.9 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers2 total
MATRIX[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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