5-bromo-N-(2-hydroxy-5-nitrophenyl)pyridine-3-sulfonamide

C11H8BrN3O5S — CID 107745988

IUPAC5-bromo-N-(2-hydroxy-5-nitrophenyl)pyridine-3-sulfonamide
SMILESO=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C11H8BrN3O5S/c12-7-3-9(6-13-5-7)21(19,20)14-10-4-8(15(17)18)1-2-11(10)16/h1-6,14,16H
InChIKeyCHVLPCQBVGRBRA-UHFFFAOYSA-N
MW374.17 g/mol
LogP2.26
Rot. Bonds4

About 5-bromo-N-(2-hydroxy-5-nitrophenyl)pyridine-3-sulfonamide

5-bromo-N-(2-hydroxy-5-nitrophenyl)pyridine-3-sulfonamide (PubChem CID 107745988) has the molecular formula C11H8BrN3O5S and a molecular weight of 374.17 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxy-5-nitrophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxy-5-nitrophenyl)pyridine-3-sulfonamide
PubChem CID107745988
Molecular FormulaC11H8BrN3O5S
Molecular Weight374.17 g/mol
Exact Mass372.94
IUPAC Name5-bromo-N-(2-hydroxy-5-nitrophenyl)pyridine-3-sulfonamide
SMILESO=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C11H8BrN3O5S/c12-7-3-9(6-13-5-7)21(19,20)14-10-4-8(15(17)18)1-2-11(10)16/h1-6,14,16H
InChIKeyCHVLPCQBVGRBRA-UHFFFAOYSA-N
XLogP2.26
TPSA122.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.17
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-N-(2-hydroxy-5-nitrophenyl)pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(3-bromo-2-hydroxyphenyl)pyridine-3-sulfonamide
CID 81496242
N-(2-hydroxy-5-nitrophenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 103717307
1,1-difluoro-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide
CID 107745986
5-bromo-N-(3-hydroxy-4-methylphenyl)pyridine-3-sulfonamide
CID 64794054
2-(ethylsulfamoylamino)-4-nitrophenol
CID 107745997
5-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-sulfonamide
CID 103943788
2-[(5-bromo-3-pyridinyl)sulfonylamino]benzenesulfonyl fluoride
CID 116814286
N-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide
CID 115685368
N-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide
CID 62907756
1-cyclohexyl-N-(2-hydroxy-5-nitrophenyl)methanesulfonamide
CID 107745976
4-bromo-2-(2,4-dinitroanilino)phenol
CID 86702719
N-(2,4-dibromophenyl)-3-nitrobenzenesulfonamide
CID 22773590

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxy-5-nitrophenyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2-hydroxy-5-nitrophenyl)pyridine-3-sulfonamide (CID 107745988) is 5-bromo-N-(2-hydroxy-5-nitrophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxy-5-nitrophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-hydroxy-5-nitrophenyl)pyridine-3-sulfonamide is O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cncc(Br)c2)c1.
What is the InChIKey of 5-bromo-N-(2-hydroxy-5-nitrophenyl)pyridine-3-sulfonamide?
The InChIKey is CHVLPCQBVGRBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O5S/c12-7-3-9(6-13-5-7)21(19,20)14-10-4-8(15(17)18)1-2-11(10)16/h1-6,14,16H.
What are the key properties of 5-bromo-N-(2-hydroxy-5-nitrophenyl)pyridine-3-sulfonamide?
5-bromo-N-(2-hydroxy-5-nitrophenyl)pyridine-3-sulfonamide has a molecular weight of 374.17 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxy-5-nitrophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 107745988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).