4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide

C11H9N3O5S — CID 43217817

IUPAC4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2cccnc2)ccc1O
InChIInChI=1S/C11H9N3O5S/c15-11-4-3-9(6-10(11)14(16)17)20(18,19)13-8-2-1-5-12-7-8/h1-7,13,15H
InChIKeyIHKIZXPABUTHIK-UHFFFAOYSA-N
MW295.28 g/mol
LogP1.50
Rot. Bonds4

About 4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide

4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 43217817) has the molecular formula C11H9N3O5S and a molecular weight of 295.28 g/mol. Its IUPAC name is 4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide
PubChem CID43217817
Molecular FormulaC11H9N3O5S
Molecular Weight295.28 g/mol
Exact Mass295.03
IUPAC Name4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2cccnc2)ccc1O
InChIInChI=1S/C11H9N3O5S/c15-11-4-3-9(6-10(11)14(16)17)20(18,19)13-8-2-1-5-12-7-8/h1-7,13,15H
InChIKeyIHKIZXPABUTHIK-UHFFFAOYSA-N
XLogP1.50
TPSA122.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 51.50
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

4-hydroxy-N-(6-methyl-3-pyridinyl)-3-nitrobenzenesulfonamide
CID 81496749
4-hydroxy-3-nitro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 31580529
2-chloro-N-(2-nitrophenyl)-5-(pyridin-3-ylsulfamoyl)benzamide
CID 25040314
N-(4-ethylsulfonylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 30180860
N-(2,6-dimethylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 31579190
N-(4-cyanophenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 43000996
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014
4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide
CID 1355803
5-(methylamino)-4-nitro-N-pyridin-3-ylthiophene-2-sulfonamide
CID 80747191
N-(6-fluoro-2-pyridinyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 104821684
4-[methyl(pyridin-3-ylmethyl)amino]-3-nitro-N-phenylbenzenesulfonamide
CID 9183438
3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 71991673

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide (CID 43217817) is 4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccnc2)ccc1O.
What is the InChIKey of 4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is IHKIZXPABUTHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O5S/c15-11-4-3-9(6-10(11)14(16)17)20(18,19)13-8-2-1-5-12-7-8/h1-7,13,15H.
What are the key properties of 4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide?
4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 295.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 43217817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).