Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 1392129-96-2, Sodium sulfachloropyrazine monohydrate, Sulfachloropyrazine sodium monohydrate, Sodium;(4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide;hydrate, Kpm50228fr, Sodium ((4-aminophenyl)sulfonyl)(6-chloropyrazin-2-yl)amide hydrate
Molecular Formula
C10H10ClN4NaO3S
Molecular Weight
324.72  g/mol
InChI Key
PCDSLLFCMAPONC-UHFFFAOYSA-N
FDA UNII
KPM50228FR

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;(4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide;hydrate
2.1.2 InChI
InChI=1S/C10H8ClN4O2S.Na.H2O/c11-9-5-13-6-10(14-9)15-18(16,17)8-3-1-7(12)2-4-8;;/h1-6H,12H2;;1H2/q-1;+1;
2.1.3 InChI Key
PCDSLLFCMAPONC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1N)S(=O)(=O)[N-]C2=CN=CC(=N2)Cl.O.[Na+]
2.2 Other Identifiers
2.2.1 UNII
KPM50228FR
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1392129-96-2

2. Sodium Sulfachloropyrazine Monohydrate

3. Sulfachloropyrazine Sodium Monohydrate

4. Sodium;(4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide;hydrate

5. Kpm50228fr

6. Sodium ((4-aminophenyl)sulfonyl)(6-chloropyrazin-2-yl)amide Hydrate

7. Unii-kpm50228fr

8. Dtxsid10160962

9. Sodium Sulfaclozine Monohydrate

10. Sulfaclozine Sodium 100 Microg/ml In Methanol

11. Sulfaclozine Sodium Monohydrate [green Book]

12. Q27282372

13. Sulfaclozine Sodium Monohydrate 100 Microg/ml In Acetonitrile

14. Benzenesulfonamide, 4-amino-n-(6-chloro-2-pyrazinyl)-, Sodium Salt, Hydrate (1:1:1)

2.4 Create Date
2013-07-08
3 Chemical and Physical Properties
Molecular Weight 324.72 g/mol
Molecular Formula C10H10ClN4NaO3S
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass324.0059833 g/mol
Monoisotopic Mass324.0059833 g/mol
Topological Polar Surface Area96.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity370
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3