4-hydroxy-N-(6-methyl-3-pyridinyl)-3-nitrobenzenesulfonamide

C12H11N3O5S — CID 81496749

IUPAC4-hydroxy-N-(6-methyl-3-pyridinyl)-3-nitrobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cn1
InChIInChI=1S/C12H11N3O5S/c1-8-2-3-9(7-13-8)14-21(19,20)10-4-5-12(16)11(6-10)15(17)18/h2-7,14,16H,1H3
InChIKeyUDBBJGDHHGVXSJ-UHFFFAOYSA-N
MW309.30 g/mol
LogP1.80
Rot. Bonds4

About 4-hydroxy-N-(6-methyl-3-pyridinyl)-3-nitrobenzenesulfonamide

4-hydroxy-N-(6-methyl-3-pyridinyl)-3-nitrobenzenesulfonamide (PubChem CID 81496749) has the molecular formula C12H11N3O5S and a molecular weight of 309.30 g/mol. Its IUPAC name is 4-hydroxy-N-(6-methyl-3-pyridinyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-(6-methyl-3-pyridinyl)-3-nitrobenzenesulfonamide
PubChem CID81496749
Molecular FormulaC12H11N3O5S
Molecular Weight309.30 g/mol
Exact Mass309.04
IUPAC Name4-hydroxy-N-(6-methyl-3-pyridinyl)-3-nitrobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cn1
InChIInChI=1S/C12H11N3O5S/c1-8-2-3-9(7-13-8)14-21(19,20)10-4-5-12(16)11(6-10)15(17)18/h2-7,14,16H,1H3
InChIKeyUDBBJGDHHGVXSJ-UHFFFAOYSA-N
XLogP1.80
TPSA122.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 51.80
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-3-nitro-N-pyridin-3-ylbenzenesulfonamide
CID 43217817
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-(4-butan-2-ylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 43001005
4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 84581619
N-(4-fluoro-2-methylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 31579700
4-hydroxy-3-nitro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 31580529
N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 60785749
4-hydroxy-N-(2-methyl-1,2,4-triazol-3-yl)-3-nitrobenzenesulfonamide
CID 80708724
2-hydroxy-5-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoic acid
CID 5035463
4-hydroxy-N-methoxy-3-nitrobenzenesulfonamide
CID 60700422

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(6-methyl-3-pyridinyl)-3-nitrobenzenesulfonamide?
The IUPAC name of 4-hydroxy-N-(6-methyl-3-pyridinyl)-3-nitrobenzenesulfonamide (CID 81496749) is 4-hydroxy-N-(6-methyl-3-pyridinyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-(6-methyl-3-pyridinyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-(6-methyl-3-pyridinyl)-3-nitrobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cn1.
What is the InChIKey of 4-hydroxy-N-(6-methyl-3-pyridinyl)-3-nitrobenzenesulfonamide?
The InChIKey is UDBBJGDHHGVXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O5S/c1-8-2-3-9(7-13-8)14-21(19,20)10-4-5-12(16)11(6-10)15(17)18/h2-7,14,16H,1H3.
What are the key properties of 4-hydroxy-N-(6-methyl-3-pyridinyl)-3-nitrobenzenesulfonamide?
4-hydroxy-N-(6-methyl-3-pyridinyl)-3-nitrobenzenesulfonamide has a molecular weight of 309.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(6-methyl-3-pyridinyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 81496749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).