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Also known as: 82875-49-8, Chlorthalidone impurity e, R8k7x3n4ev, 3-(3-sulfamyl-4-chlorophenyl)phthalimidine, Benzenesulfonamide, 2-chloro-5-(2,3-dihydro-3-oxo-1h-isoindol-1-yl)-, 2-chloro-5-(3-oxoisoindolin-1-yl)benzenesulfonamide
Molecular Formula
C14H11ClN2O3S
Molecular Weight
322.8  g/mol
InChI Key
NPCMXXHTULKTQS-UHFFFAOYSA-N
FDA UNII
R8K7X3N4EV

CAS 82875-49-8
1 2D Structure

CAS 82875-49-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-5-(3-oxo-1,2-dihydroisoindol-1-yl)benzenesulfonamide
2.1.2 InChI
InChI=1S/C14H11ClN2O3S/c15-11-6-5-8(7-12(11)21(16,19)20)13-9-3-1-2-4-10(9)14(18)17-13/h1-7,13H,(H,17,18)(H2,16,19,20)
2.1.3 InChI Key
NPCMXXHTULKTQS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C(NC2=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N
2.2 Other Identifiers
2.2.1 UNII
R8K7X3N4EV
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 82875-49-8

2. Chlorthalidone Impurity E

3. R8k7x3n4ev

4. 3-(3-sulfamyl-4-chlorophenyl)phthalimidine

5. Benzenesulfonamide, 2-chloro-5-(2,3-dihydro-3-oxo-1h-isoindol-1-yl)-

6. 2-chloro-5-(3-oxoisoindolin-1-yl)benzenesulfonamide

7. Unii-r8k7x3n4ev

8. Chlortalidone Impurity E [ep]

9. Dtxsid401167493

10. Chlortalidone Impurity E [ep Impurity]

11. 2-chloro-5-(3-oxo-1,2-dihydroisoindol-1-yl)benzenesulfonamide

12. 2-chloro-5-(2,3-dihydro-3-oxo-1h-isoindol-1-yl)benzenesulfonamide

13. Chlorthalidone Deshydroxy Impurity; 2-chloro-5-(3-oxo-1-isoindolinyl)benzenesulfonamide

2.4 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 322.8 g/mol
Molecular Formula C14H11ClN2O3S
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass322.0178911 g/mol
Monoisotopic Mass322.0178911 g/mol
Topological Polar Surface Area97.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity519
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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