sodium (4-aminophenyl)sulfonyl-quinoxalin-2-ylazanide

C14H11N4NaO2S — CID 3693427

IUPACsodium (4-aminophenyl)sulfonyl-quinoxalin-2-ylazanide
SMILESNc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1.[Na+]
InChIInChI=1S/C14H11N4O2S.Na/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14;/h1-9H,15H2;/q-1;+1
InChIKeyWXUQBKOBXREBBX-UHFFFAOYSA-N
MW322.33 g/mol
LogP-0.39
Rot. Bonds3

About sodium (4-aminophenyl)sulfonyl-quinoxalin-2-ylazanide

sodium (4-aminophenyl)sulfonyl-quinoxalin-2-ylazanide (PubChem CID 3693427) has the molecular formula C14H11N4NaO2S and a molecular weight of 322.33 g/mol. Its IUPAC name is sodium (4-aminophenyl)sulfonyl-quinoxalin-2-ylazanide.

Molecular Properties

Compound Namesodium (4-aminophenyl)sulfonyl-quinoxalin-2-ylazanide
PubChem CID3693427
Molecular FormulaC14H11N4NaO2S
Molecular Weight322.33 g/mol
Exact Mass322.05
IUPAC Namesodium (4-aminophenyl)sulfonyl-quinoxalin-2-ylazanide
SMILESNc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1.[Na+]
InChIInChI=1S/C14H11N4O2S.Na/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14;/h1-9H,15H2;/q-1;+1
InChIKeyWXUQBKOBXREBBX-UHFFFAOYSA-N
XLogP-0.39
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 5-0.39
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-quinoxalin-2-ylazanide?
The IUPAC name of sodium (4-aminophenyl)sulfonyl-quinoxalin-2-ylazanide (CID 3693427) is sodium (4-aminophenyl)sulfonyl-quinoxalin-2-ylazanide.
What is the SMILES notation for sodium (4-aminophenyl)sulfonyl-quinoxalin-2-ylazanide?
The canonical SMILES for sodium (4-aminophenyl)sulfonyl-quinoxalin-2-ylazanide is Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1.[Na+].
What is the InChIKey of sodium (4-aminophenyl)sulfonyl-quinoxalin-2-ylazanide?
The InChIKey is WXUQBKOBXREBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N4O2S.Na/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14;/h1-9H,15H2;/q-1;+1.
What are the key properties of sodium (4-aminophenyl)sulfonyl-quinoxalin-2-ylazanide?
sodium (4-aminophenyl)sulfonyl-quinoxalin-2-ylazanide has a molecular weight of 322.33 g/mol, XLogP of -0.39, 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-quinoxalin-2-ylazanide is sourced from PubChem (CID 3693427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).