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4-(2,5-Dioxopyrrolidin-1-yl)benzenesulfonamide , CAS No.5470-06-4
Basic Description
Synonyms
4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide | 4-(2,5-Dioxo-1-pyrrolidinyl)benzenesulfonamide | Benzenesulfonamide, 4-(2,5-dioxo-1-pyrrolidinyl)- | EINECS 226-797-7 | BRN 0262526 | p-(2,5-Dioxo-1-pyrrolidinyl)benzenesulphonamide | Oprea1_175679 | DTXSID
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Benzenesulfonamides Benzenesulfonyl compounds Pyrrolidine-2-ones Organosulfonamides N-substituted carboxylic acid imides Pyrroles Dicarboximides Aminosulfonyl compounds Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - Benzenesulfonamide - Benzenesulfonyl group - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Organosulfonic acid amide - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid imide - Pyrrole - Aminosulfonyl compound - Dicarboximide - Lactam - Carboxylic acid derivative - Azacycle - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
INCHI
InChI=1S/C10H10N2O4S/c11-17(15,16)8-3-1-7(2-4-8)12-9(13)5-6-10(12)14/h1-4H,5-6H2,(H2,11,15,16)
InChIKey
CXYJOKAZIWXRHN-UHFFFAOYSA-N
Smiles
C1CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)N
Isomeric SMILES
C1CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)N
PubChem CID
79611
Molecular Weight
254.26
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
254.260 g/mol
XLogP3
-0.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
254.036 Da
Monoisotopic Mass
254.036 Da
Topological Polar Surface Area
106.000 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
416.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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