6-nitro-2-oxo-1H-benzo[f]quinoxaline-7-sulfonamide

C12H8N4O5S — CID 141076342

IUPAC6-nitro-2-oxo-1H-benzo[f]quinoxaline-7-sulfonamide
SMILESNS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1ncc(=O)[nH]c12
InChIInChI=1S/C12H8N4O5S/c13-22(20,21)9-3-1-2-6-11(9)8(16(18)19)4-7-12(6)15-10(17)5-14-7/h1-5H,(H,15,17)(H2,13,20,21)
InChIKeyMSINTMYUHQJCFH-UHFFFAOYSA-N
MW320.29 g/mol
LogP0.63
Rot. Bonds2

About 6-nitro-2-oxo-1H-benzo[f]quinoxaline-7-sulfonamide

6-nitro-2-oxo-1H-benzo[f]quinoxaline-7-sulfonamide (PubChem CID 141076342) has the molecular formula C12H8N4O5S and a molecular weight of 320.29 g/mol. Its IUPAC name is 6-nitro-2-oxo-1H-benzo[f]quinoxaline-7-sulfonamide.

Molecular Properties

Compound Name6-nitro-2-oxo-1H-benzo[f]quinoxaline-7-sulfonamide
PubChem CID141076342
Molecular FormulaC12H8N4O5S
Molecular Weight320.29 g/mol
Exact Mass320.02
IUPAC Name6-nitro-2-oxo-1H-benzo[f]quinoxaline-7-sulfonamide
SMILESNS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1ncc(=O)[nH]c12
InChIInChI=1S/C12H8N4O5S/c13-22(20,21)9-3-1-2-6-11(9)8(16(18)19)4-7-12(6)15-10(17)5-14-7/h1-5H,(H,15,17)(H2,13,20,21)
InChIKeyMSINTMYUHQJCFH-UHFFFAOYSA-N
XLogP0.63
TPSA149.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-nitro-2-oxo-1H-benzo[f]quinoxaline-7-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-oxo-1H-benzo[f]quinoxaline-7-sulfonamide?
The IUPAC name of 6-nitro-2-oxo-1H-benzo[f]quinoxaline-7-sulfonamide (CID 141076342) is 6-nitro-2-oxo-1H-benzo[f]quinoxaline-7-sulfonamide.
What is the SMILES notation for 6-nitro-2-oxo-1H-benzo[f]quinoxaline-7-sulfonamide?
The canonical SMILES for 6-nitro-2-oxo-1H-benzo[f]quinoxaline-7-sulfonamide is NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1ncc(=O)[nH]c12.
What is the InChIKey of 6-nitro-2-oxo-1H-benzo[f]quinoxaline-7-sulfonamide?
The InChIKey is MSINTMYUHQJCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O5S/c13-22(20,21)9-3-1-2-6-11(9)8(16(18)19)4-7-12(6)15-10(17)5-14-7/h1-5H,(H,15,17)(H2,13,20,21).
What are the key properties of 6-nitro-2-oxo-1H-benzo[f]quinoxaline-7-sulfonamide?
6-nitro-2-oxo-1H-benzo[f]quinoxaline-7-sulfonamide has a molecular weight of 320.29 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-oxo-1H-benzo[f]quinoxaline-7-sulfonamide is sourced from PubChem (CID 141076342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).