Sodium Sulfachloropyrazine Monohydrate

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 Formula	C₁₀H₁₀ClN₄NaO₃S
Molecular Weight	324.72 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	324.0059833 g/mol
Monoisotopic Mass	324.0059833 g/mol
Topological Polar Surface Area	96.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	370
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

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