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

C10H10ClN4NaO3S — CID 71588002

IUPACsodium;(4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide;hydrate
SMILESNc1ccc(S(=O)(=O)[N-]c2cncc(Cl)n2)cc1.O.[Na+]
InChIInChI=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;
InChIKeyPCDSLLFCMAPONC-UHFFFAOYSA-N
MW324.73 g/mol
LogP-1.71
Rot. Bonds3

About sodium;(4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide;hydrate

sodium;(4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide;hydrate (PubChem CID 71588002) has the molecular formula C10H10ClN4NaO3S and a molecular weight of 324.73 g/mol. Its IUPAC name is sodium;(4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide;hydrate.

Molecular Properties

Compound Namesodium;(4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide;hydrate
PubChem CID71588002
Molecular FormulaC10H10ClN4NaO3S
Molecular Weight324.73 g/mol
Exact Mass324.01
IUPAC Namesodium;(4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide;hydrate
SMILESNc1ccc(S(=O)(=O)[N-]c2cncc(Cl)n2)cc1.O.[Na+]
InChIInChI=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;
InChIKeyPCDSLLFCMAPONC-UHFFFAOYSA-N
XLogP-1.71
TPSA131.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 5-1.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Sulfalene
CID 9047
Sulfaclozine
CID 66890
Sulfapyridine Sodium
CID 23667654
4-[(6-Chloropyrazin-2-yl)amino]benzenesulfonamide
CID 9994066
Sulfapyrazine
CID 8309
4-[(3-Amino-2-pyridyl)amino]benzenesulfonamide
CID 28846439
Sodium N-(6-chloropyrazinyl)sulphanilamidate
CID 42623021
N1-(3-Chloropyrazinyl)-sulfanilamide
CID 950567
Sulfachlorpyrazine
CID 164867
4-Amino-n-(3,6-dimethylpyrazin-2-yl)benzenesulfonamide
CID 224569
2-Sulfanilamido-5,6-dimethylpyrazine
CID 237857
2-Sulfanilamido-6-methylpyrazine
CID 237858

Frequently Asked Questions

What is the IUPAC name of sodium;(4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide;hydrate?
The IUPAC name of sodium;(4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide;hydrate (CID 71588002) is sodium;(4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide;hydrate.
What is the SMILES notation for sodium;(4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide;hydrate?
The canonical SMILES for sodium;(4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide;hydrate is Nc1ccc(S(=O)(=O)[N-]c2cncc(Cl)n2)cc1.O.[Na+].
What is the InChIKey of sodium;(4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide;hydrate?
The InChIKey is PCDSLLFCMAPONC-UHFFFAOYSA-N. The full InChI is 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;.
What are the key properties of sodium;(4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide;hydrate?
sodium;(4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide;hydrate has a molecular weight of 324.73 g/mol, XLogP of -1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide;hydrate is sourced from PubChem (CID 71588002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).