5,6-dichloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide

C11H7Cl3N2O3S — CID 103930794

IUPAC5,6-dichloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(O)c(Cl)c1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H7Cl3N2O3S/c12-8-3-6(1-2-10(8)17)16-20(18,19)7-4-9(13)11(14)15-5-7/h1-5,16-17H
InChIKeyXFQKVBXNCLPRPY-UHFFFAOYSA-N
MW353.61 g/mol
LogP3.55
Rot. Bonds3

About 5,6-dichloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide

5,6-dichloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide (PubChem CID 103930794) has the molecular formula C11H7Cl3N2O3S and a molecular weight of 353.61 g/mol. Its IUPAC name is 5,6-dichloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide
PubChem CID103930794
Molecular FormulaC11H7Cl3N2O3S
Molecular Weight353.61 g/mol
Exact Mass351.92
IUPAC Name5,6-dichloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(O)c(Cl)c1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H7Cl3N2O3S/c12-8-3-6(1-2-10(8)17)16-20(18,19)7-4-9(13)11(14)15-5-7/h1-5,16-17H
InChIKeyXFQKVBXNCLPRPY-UHFFFAOYSA-N
XLogP3.55
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.61
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5,6-dichloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-sulfonamide
CID 64782411
2-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide
CID 113353666
N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzenesulfonamide
CID 3397659
5,6-dichloro-N-(4-hydroxy-2-methylphenyl)pyridine-3-sulfonamide
CID 64606325
N-(3-chloro-4-hydroxyphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 64786558
5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-sulfonamide
CID 4731003
5,6-dichloro-N-(2,6-difluorophenyl)pyridine-3-sulfonamide
CID 64625188
5,6-dichloro-N-(5-fluoro-2-pyridinyl)pyridine-3-sulfonamide
CID 64687580
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 64607834
4-[(3-chloro-4-hydroxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 103930783
5,6-dichloro-N-(2,4,6-triiodophenyl)pyridine-3-sulfonamide
CID 64607451
5-chloro-N-(3,4-difluorophenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 64606448

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide (CID 103930794) is 5,6-dichloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide?
The InChIKey is XFQKVBXNCLPRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2O3S/c12-8-3-6(1-2-10(8)17)16-20(18,19)7-4-9(13)11(14)15-5-7/h1-5,16-17H.
What are the key properties of 5,6-dichloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide?
5,6-dichloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide has a molecular weight of 353.61 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 103930794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).