1-(4-Pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2,5-dione
Basic information
- CAS
443647-85-6- Standard SMILES
O=C1CCC(=O)N1c1ccc(S(=O)(=O)N2CCCC2)cc1- InChIKey
UKONQDDTVSQXGO-UHFFFAOYSA-N- Molecular formula
- C14H16N2O4S
- Average molar mass
- 308.35 g/mol
- Monoisotopic mass
- 308.08307817
Names & identifiers
- Preferred name
- 1-(4-Pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2,5-dione
- IUPAC
- 1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2,5-dione
Names & synonyms
1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-2,5-dione443647-85-61-(4-(pyrrolidin-1-ylsulfonyl)phenyl)pyrrolidine-2,5-dione1-[4-(pyrrolidin-1-ylsulfonyl)phenyl]pyrrolidine-2,5-dioneCambridge id 7042672MLS000676457CHEMBL1349842DTXSID001332446HMS2691M22STK004977AKOS003076482SMR000299013
Show more names
SR-01000250273SR-01000250273-11-[4-(1-pyrrolidinylsulfonyl)phenyl]-2,5-pyrrolidinedione1-[4-(PYRROLIDINE-1-SULFONYL)PHENYL]PYRROLIDINE-2,5-DIONE
Database identifiers
- CAS
443647-85-6- PubChem CID
- 804289
- DTXSID
DTXSID001332446- ChEMBL
CHEMBL1349842
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 510
Experimental & physicochemical properties
Solubility45.4 [ug/mL] (The mean of the results at pH 7.4)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…