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

C10H8ClN4NaO2S — CID 42623021

IUPACsodium (4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide
SMILESNc1ccc(S(=O)(=O)[N-]c2cncc(Cl)n2)cc1.[Na+]
InChIInChI=1S/C10H8ClN4O2S.Na/c11-9-5-13-6-10(14-9)15-18(16,17)8-3-1-7(12)2-4-8;/h1-6H,12H2;/q-1;+1
InChIKeyNIUFFODHMKLSCH-UHFFFAOYSA-N
MW306.71 g/mol
LogP-0.89
Rot. Bonds3

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

sodium (4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide (PubChem CID 42623021) has the molecular formula C10H8ClN4NaO2S and a molecular weight of 306.71 g/mol. Its IUPAC name is sodium (4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide.

Molecular Properties

Compound Namesodium (4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide
PubChem CID42623021
Molecular FormulaC10H8ClN4NaO2S
Molecular Weight306.71 g/mol
Exact Mass306.00
IUPAC Namesodium (4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide
SMILESNc1ccc(S(=O)(=O)[N-]c2cncc(Cl)n2)cc1.[Na+]
InChIInChI=1S/C10H8ClN4O2S.Na/c11-9-5-13-6-10(14-9)15-18(16,17)8-3-1-7(12)2-4-8;/h1-6H,12H2;/q-1;+1
InChIKeyNIUFFODHMKLSCH-UHFFFAOYSA-N
XLogP-0.89
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium (4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide?
The IUPAC name of sodium (4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide (CID 42623021) is sodium (4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide.
What is the SMILES notation for sodium (4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide?
The canonical SMILES for sodium (4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide is Nc1ccc(S(=O)(=O)[N-]c2cncc(Cl)n2)cc1.[Na+].
What is the InChIKey of sodium (4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide?
The InChIKey is NIUFFODHMKLSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN4O2S.Na/c11-9-5-13-6-10(14-9)15-18(16,17)8-3-1-7(12)2-4-8;/h1-6H,12H2;/q-1;+1.
What are the key properties of sodium (4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide?
sodium (4-aminophenyl)sulfonyl-(6-chloropyrazin-2-yl)azanide has a molecular weight of 306.71 g/mol, XLogP of -0.89, 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 is sourced from PubChem (CID 42623021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).