N-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide

C11H8FN3O5S — CID 104821684

IUPACN-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(F)n2)ccc1O
InChIInChI=1S/C11H8FN3O5S/c12-10-2-1-3-11(13-10)14-21(19,20)7-4-5-9(16)8(6-7)15(17)18/h1-6,16H,(H,13,14)
InChIKeyLZBBUUCHGWKQMB-UHFFFAOYSA-N
MW313.27 g/mol
LogP1.64
Rot. Bonds4

About N-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide

N-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide (PubChem CID 104821684) has the molecular formula C11H8FN3O5S and a molecular weight of 313.27 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide
PubChem CID104821684
Molecular FormulaC11H8FN3O5S
Molecular Weight313.27 g/mol
Exact Mass313.02
IUPAC NameN-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(F)n2)ccc1O
InChIInChI=1S/C11H8FN3O5S/c12-10-2-1-3-11(13-10)14-21(19,20)7-4-5-9(16)8(6-7)15(17)18/h1-6,16H,(H,13,14)
InChIKeyLZBBUUCHGWKQMB-UHFFFAOYSA-N
XLogP1.64
TPSA122.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

N-(2,6-dimethylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 31579190
N-(6-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 104821551
4-chloro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821539
2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid
CID 116812704
4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide
CID 43217817
5-fluoro-N-(6-fluoro-2-pyridinyl)pyridine-3-sulfonamide
CID 113457005
N-(4-fluoro-2-methylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 31579700
4-tert-butyl-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 104821544
4-hydroxy-3-nitro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 31580529
2-chloro-N-(6-fluoro-2-pyridinyl)-5-nitrobenzenesulfonamide
CID 104821583
2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid
CID 3768669
N-(4-ethylsulfonylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 30180860

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide?
The IUPAC name of N-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide (CID 104821684) is N-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(F)n2)ccc1O.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide?
The InChIKey is LZBBUUCHGWKQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O5S/c12-10-2-1-3-11(13-10)14-21(19,20)7-4-5-9(16)8(6-7)15(17)18/h1-6,16H,(H,13,14).
What are the key properties of N-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide?
N-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide has a molecular weight of 313.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide is sourced from PubChem (CID 104821684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).