6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoline-7-sulfonamide

C13H9N3O6S — CID 141330390

IUPAC6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoline-7-sulfonamide
SMILESNS(=O)(=O)c1cccc2c3c(cc([N+](=O)[O-])c12)NC(=O)C(=O)C3
InChIInChI=1S/C13H9N3O6S/c14-23(21,22)11-3-1-2-6-7-4-10(17)13(18)15-8(7)5-9(12(6)11)16(19)20/h1-3,5H,4H2,(H,15,18)(H2,14,21,22)
InChIKeyYISYTSAAHSVDIT-UHFFFAOYSA-N
MW335.30 g/mol
LogP0.46
Rot. Bonds2

About 6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoline-7-sulfonamide

6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoline-7-sulfonamide (PubChem CID 141330390) has the molecular formula C13H9N3O6S and a molecular weight of 335.30 g/mol. Its IUPAC name is 6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoline-7-sulfonamide.

Molecular Properties

Compound Name6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoline-7-sulfonamide
PubChem CID141330390
Molecular FormulaC13H9N3O6S
Molecular Weight335.30 g/mol
Exact Mass335.02
IUPAC Name6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoline-7-sulfonamide
SMILESNS(=O)(=O)c1cccc2c3c(cc([N+](=O)[O-])c12)NC(=O)C(=O)C3
InChIInChI=1S/C13H9N3O6S/c14-23(21,22)11-3-1-2-6-7-4-10(17)13(18)15-8(7)5-9(12(6)11)16(19)20/h1-3,5H,4H2,(H,15,18)(H2,14,21,22)
InChIKeyYISYTSAAHSVDIT-UHFFFAOYSA-N
XLogP0.46
TPSA149.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-nitro-2-oxo-1H-benzo[f]quinoxaline-7-sulfonamide
CID 141076342
2,3-dioxo-1H-indole-4-sulfonamide
CID 119087461
2-methylsulfonyl-3-nitrobenzenesulfonamide
CID 142790539
(6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoxalin-7-yl) sulfamate
CID 91140038
1,5,9-trinitrotriphenylene
CID 86227277
5-nitro-1,4-dioxo-3H-phthalazine-2-carbothioamide
CID 11448497
2-nitro-6-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8,10,12-hexaen-7-one
CID 12627733
iron(2+);bis(2-nitrobenzenesulfonate)
CID 141179187
5-methyl-6-nitro-1H-indole-2,3-dione
CID 119088829
3-[(1-methylcyclobutyl)methylamino]-2-nitrobenzenesulfonamide
CID 86790973
2-nitro-4-[[(2R)-oxolan-2-yl]amino]benzenesulfonamide
CID 168730220
8-nitronaphthalene-1-sulfonohydrazide
CID 155193917

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoline-7-sulfonamide?
The IUPAC name of 6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoline-7-sulfonamide (CID 141330390) is 6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoline-7-sulfonamide.
What is the SMILES notation for 6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoline-7-sulfonamide?
The canonical SMILES for 6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoline-7-sulfonamide is NS(=O)(=O)c1cccc2c3c(cc([N+](=O)[O-])c12)NC(=O)C(=O)C3.
What is the InChIKey of 6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoline-7-sulfonamide?
The InChIKey is YISYTSAAHSVDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O6S/c14-23(21,22)11-3-1-2-6-7-4-10(17)13(18)15-8(7)5-9(12(6)11)16(19)20/h1-3,5H,4H2,(H,15,18)(H2,14,21,22).
What are the key properties of 6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoline-7-sulfonamide?
6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoline-7-sulfonamide has a molecular weight of 335.30 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoline-7-sulfonamide is sourced from PubChem (CID 141330390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).