4-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzenesulfonamide

C11H8FN3O5S — CID 110504705

IUPAC4-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzenesulfonamide
SMILESO=[N+]([O-])c1cnc(NS(=O)(=O)c2ccc(F)cc2)c(O)c1
InChIInChI=1S/C11H8FN3O5S/c12-7-1-3-9(4-2-7)21(19,20)14-11-10(16)5-8(6-13-11)15(17)18/h1-6,16H,(H,13,14)
InChIKeyABEVODPIJBROKJ-UHFFFAOYSA-N
MW313.27 g/mol
LogP1.64
Rot. Bonds4

About 4-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzenesulfonamide

4-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzenesulfonamide (PubChem CID 110504705) has the molecular formula C11H8FN3O5S and a molecular weight of 313.27 g/mol. Its IUPAC name is 4-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzenesulfonamide
PubChem CID110504705
Molecular FormulaC11H8FN3O5S
Molecular Weight313.27 g/mol
Exact Mass313.02
IUPAC Name4-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzenesulfonamide
SMILESO=[N+]([O-])c1cnc(NS(=O)(=O)c2ccc(F)cc2)c(O)c1
InChIInChI=1S/C11H8FN3O5S/c12-7-1-3-9(4-2-7)21(19,20)14-11-10(16)5-8(6-13-11)15(17)18/h1-6,16H,(H,13,14)
InChIKeyABEVODPIJBROKJ-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-5-nitro-2-pyridinyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110504719
N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide
CID 60631764
3-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzamide
CID 110495932
2-fluoro-5-nitropyridin-3-ol
CID 130057663
N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide
CID 7514342
N-(3-hydroxy-5-nitro-2-pyridinyl)-3,5-dinitrobenzamide
CID 110496009
N-(3-hydroxy-5-nitro-2-pyridinyl)propanamide
CID 110495915
2-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine
CID 118466697
4-fluoro-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 135455609
3-bromo-N-[(4-fluorophenyl)methyl]-5-nitropyridin-2-amine
CID 79534423
N-(3-hydroxy-5-nitro-2-pyridinyl)-2-pyridin-4-ylacetamide
CID 110496062
N-(4-fluoro-2-methylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 31579700

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzenesulfonamide (CID 110504705) is 4-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzenesulfonamide is O=[N+]([O-])c1cnc(NS(=O)(=O)c2ccc(F)cc2)c(O)c1.
What is the InChIKey of 4-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzenesulfonamide?
The InChIKey is ABEVODPIJBROKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O5S/c12-7-1-3-9(4-2-7)21(19,20)14-11-10(16)5-8(6-13-11)15(17)18/h1-6,16H,(H,13,14).
What are the key properties of 4-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzenesulfonamide?
4-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzenesulfonamide 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 4-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 110504705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).