4-[(2Z)-2-[2-oxo-1-(3-oxo-4H-quinoxalin-2-yl)ethylidene]hydrazinyl]benzenesulfonamide

C16H13N5O4S — CID 135822341

IUPAC4-[(2Z)-2-[2-oxo-1-(3-oxo-4H-quinoxalin-2-yl)ethylidene]hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N/N=C(\C=O)c2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C16H13N5O4S/c17-26(24,25)11-7-5-10(6-8-11)20-21-14(9-22)15-16(23)19-13-4-2-1-3-12(13)18-15/h1-9,20H,(H,19,23)(H2,17,24,25)/b21-14+
InChIKeyUAHASTGZAXSMMU-KGENOOAVSA-N
MW371.38 g/mol
LogP0.59
Rot. Bonds5

About 4-[(2Z)-2-[2-oxo-1-(3-oxo-4H-quinoxalin-2-yl)ethylidene]hydrazinyl]benzenesulfonamide

4-[(2Z)-2-[2-oxo-1-(3-oxo-4H-quinoxalin-2-yl)ethylidene]hydrazinyl]benzenesulfonamide (PubChem CID 135822341) has the molecular formula C16H13N5O4S and a molecular weight of 371.38 g/mol. Its IUPAC name is 4-[(2Z)-2-[2-oxo-1-(3-oxo-4H-quinoxalin-2-yl)ethylidene]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2Z)-2-[2-oxo-1-(3-oxo-4H-quinoxalin-2-yl)ethylidene]hydrazinyl]benzenesulfonamide
PubChem CID135822341
Molecular FormulaC16H13N5O4S
Molecular Weight371.38 g/mol
Exact Mass371.07
IUPAC Name4-[(2Z)-2-[2-oxo-1-(3-oxo-4H-quinoxalin-2-yl)ethylidene]hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N/N=C(\C=O)c2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C16H13N5O4S/c17-26(24,25)11-7-5-10(6-8-11)20-21-14(9-22)15-16(23)19-13-4-2-1-3-12(13)18-15/h1-9,20H,(H,19,23)(H2,17,24,25)/b21-14+
InChIKeyUAHASTGZAXSMMU-KGENOOAVSA-N
XLogP0.59
TPSA147.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylhydrazinylidene)acetaldehyde
CID 135548597
2-[(4-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde
CID 3568770
(2Z)-2-[(3-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde
CID 135822360
3-[(E)-C-benzoyl-N-(4-methoxyanilino)carbonimidoyl]-1H-quinoxalin-2-one
CID 135545421
3-[(E)-N-anilino-C-(2,3,4,5,6-pentafluorobenzoyl)carbonimidoyl]-1H-quinoxalin-2-one
CID 171981705
3-[N-anilino-C-(1,2,3-trihydroxypropyl)carbonimidoyl]-1H-quinoxalin-2-one
CID 3713737
3-[(E)-N-anilino-C-(4-methoxybenzoyl)carbonimidoyl]-1H-quinoxalin-2-one
CID 135423303
3-[(Z)-N-(4-chloroanilino)-C-(5-methyl-1,3,4-oxadiazol-2-yl)carbonimidoyl]-1H-quinoxalin-2-one
CID 135841489
3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one
CID 137201303
3-[(E)-C-benzoyl-N-(3-nitroanilino)carbonimidoyl]-1H-quinoxalin-2-one
CID 135497109
4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide
CID 6256280
3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one
CID 137037919

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[2-oxo-1-(3-oxo-4H-quinoxalin-2-yl)ethylidene]hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[(2Z)-2-[2-oxo-1-(3-oxo-4H-quinoxalin-2-yl)ethylidene]hydrazinyl]benzenesulfonamide (CID 135822341) is 4-[(2Z)-2-[2-oxo-1-(3-oxo-4H-quinoxalin-2-yl)ethylidene]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2Z)-2-[2-oxo-1-(3-oxo-4H-quinoxalin-2-yl)ethylidene]hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[(2Z)-2-[2-oxo-1-(3-oxo-4H-quinoxalin-2-yl)ethylidene]hydrazinyl]benzenesulfonamide is NS(=O)(=O)c1ccc(N/N=C(\C=O)c2nc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of 4-[(2Z)-2-[2-oxo-1-(3-oxo-4H-quinoxalin-2-yl)ethylidene]hydrazinyl]benzenesulfonamide?
The InChIKey is UAHASTGZAXSMMU-KGENOOAVSA-N. The full InChI is InChI=1S/C16H13N5O4S/c17-26(24,25)11-7-5-10(6-8-11)20-21-14(9-22)15-16(23)19-13-4-2-1-3-12(13)18-15/h1-9,20H,(H,19,23)(H2,17,24,25)/b21-14+.
What are the key properties of 4-[(2Z)-2-[2-oxo-1-(3-oxo-4H-quinoxalin-2-yl)ethylidene]hydrazinyl]benzenesulfonamide?
4-[(2Z)-2-[2-oxo-1-(3-oxo-4H-quinoxalin-2-yl)ethylidene]hydrazinyl]benzenesulfonamide has a molecular weight of 371.38 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[2-oxo-1-(3-oxo-4H-quinoxalin-2-yl)ethylidene]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 135822341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).