5-nitro-N-quinolin-8-ylpyridine-3-sulfonamide

C14H10N4O4S — CID 166208269

IUPAC5-nitro-N-quinolin-8-ylpyridine-3-sulfonamide
SMILESO=[N+]([O-])c1cncc(S(=O)(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C14H10N4O4S/c19-18(20)11-7-12(9-15-8-11)23(21,22)17-13-5-1-3-10-4-2-6-16-14(10)13/h1-9,17H
InChIKeyYAWHCLLKIZXTBM-UHFFFAOYSA-N
MW330.33 g/mol
LogP2.34
Rot. Bonds4

About 5-nitro-N-quinolin-8-ylpyridine-3-sulfonamide

5-nitro-N-quinolin-8-ylpyridine-3-sulfonamide (PubChem CID 166208269) has the molecular formula C14H10N4O4S and a molecular weight of 330.33 g/mol. Its IUPAC name is 5-nitro-N-quinolin-8-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-nitro-N-quinolin-8-ylpyridine-3-sulfonamide
PubChem CID166208269
Molecular FormulaC14H10N4O4S
Molecular Weight330.33 g/mol
Exact Mass330.04
IUPAC Name5-nitro-N-quinolin-8-ylpyridine-3-sulfonamide
SMILESO=[N+]([O-])c1cncc(S(=O)(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C14H10N4O4S/c19-18(20)11-7-12(9-15-8-11)23(21,22)17-13-5-1-3-10-4-2-6-16-14(10)13/h1-9,17H
InChIKeyYAWHCLLKIZXTBM-UHFFFAOYSA-N
XLogP2.34
TPSA115.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
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'}

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Related Compounds

4-iodo-N-quinolin-8-ylbenzenesulfonamide
CID 25048748
6-amino-N-quinolin-8-ylpyridine-3-sulfonamide
CID 62164738
N-(2-methyl-5-nitrophenyl)quinoline-8-sulfonamide
CID 4307070
N-benzo[h]quinolin-10-yl-2,4-dinitrobenzenesulfonamide
CID 58174439
3-cyano-N-quinolin-8-ylbenzenesulfonamide
CID 8823700
N-(2,3-dimethylphenyl)-3-nitrobenzenesulfonamide
CID 22773660
N-(4-nitrophenyl)sulfanylquinolin-8-amine
CID 142610178
2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide
CID 24621400
2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884
N-(2-hydroxyethyl)-5-nitropyridine-3-sulfonamide
CID 12684266
N-quinolin-8-yl-4-tridecylbenzenesulfonamide
CID 102007956
1-methyl-2-oxo-N-quinolin-8-yl-3H-indole-5-sulfonamide
CID 17498186

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-quinolin-8-ylpyridine-3-sulfonamide?
The IUPAC name of 5-nitro-N-quinolin-8-ylpyridine-3-sulfonamide (CID 166208269) is 5-nitro-N-quinolin-8-ylpyridine-3-sulfonamide.
What is the SMILES notation for 5-nitro-N-quinolin-8-ylpyridine-3-sulfonamide?
The canonical SMILES for 5-nitro-N-quinolin-8-ylpyridine-3-sulfonamide is O=[N+]([O-])c1cncc(S(=O)(=O)Nc2cccc3cccnc23)c1.
What is the InChIKey of 5-nitro-N-quinolin-8-ylpyridine-3-sulfonamide?
The InChIKey is YAWHCLLKIZXTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O4S/c19-18(20)11-7-12(9-15-8-11)23(21,22)17-13-5-1-3-10-4-2-6-16-14(10)13/h1-9,17H.
What are the key properties of 5-nitro-N-quinolin-8-ylpyridine-3-sulfonamide?
5-nitro-N-quinolin-8-ylpyridine-3-sulfonamide has a molecular weight of 330.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-quinolin-8-ylpyridine-3-sulfonamide is sourced from PubChem (CID 166208269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).