5-bromo-6-chloro-N-(4-phenyldiazenylphenyl)pyridine-3-sulfonamide

C17H12BrClN4O2S — CID 4730055

IUPAC5-bromo-6-chloro-N-(4-phenyldiazenylphenyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(/N=N/c2ccccc2)cc1)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C17H12BrClN4O2S/c18-16-10-15(11-20-17(16)19)26(24,25)23-14-8-6-13(7-9-14)22-21-12-4-2-1-3-5-12/h1-11,23H/b22-21+
InChIKeyMLNURBAUSMHEJG-QURGRASLSA-N
MW451.73 g/mol
LogP5.71
Rot. Bonds5

About 5-bromo-6-chloro-N-(4-phenyldiazenylphenyl)pyridine-3-sulfonamide

5-bromo-6-chloro-N-(4-phenyldiazenylphenyl)pyridine-3-sulfonamide (PubChem CID 4730055) has the molecular formula C17H12BrClN4O2S and a molecular weight of 451.73 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-(4-phenyldiazenylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-6-chloro-N-(4-phenyldiazenylphenyl)pyridine-3-sulfonamide
PubChem CID4730055
Molecular FormulaC17H12BrClN4O2S
Molecular Weight451.73 g/mol
Exact Mass449.96
IUPAC Name5-bromo-6-chloro-N-(4-phenyldiazenylphenyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(/N=N/c2ccccc2)cc1)c1cnc(Cl)c(Br)c1
InChIInChI=1S/C17H12BrClN4O2S/c18-16-10-15(11-20-17(16)19)26(24,25)23-14-8-6-13(7-9-14)22-21-12-4-2-1-3-5-12/h1-11,23H/b22-21+
InChIKeyMLNURBAUSMHEJG-QURGRASLSA-N
XLogP5.71
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.73
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[4-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]phenyl]sulfonylphenyl]-6-chloropyridine-3-sulfonamide
CID 4730144
5-bromo-6-chloro-N-pyridin-4-ylpyridine-3-sulfonamide
CID 4729992
4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 4289928
3,4-difluoro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 22774852
5-bromo-6-chloro-N-propan-2-ylpyridine-3-sulfonamide
CID 826872
4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 105055682
3-[(4-phenyldiazenylphenyl)sulfamoyl]benzoate
CID 7573875
5-bromo-6-chloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
CID 4729984
5-bromo-N-(5-bromo-3-hydroxy-2-pyridinyl)-6-chloropyridine-3-sulfonamide
CID 86582215
N-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide
CID 104826709
5-bromo-6-chloro-N'-(4-methylphenyl)sulfonylpyridine-3-sulfonohydrazide
CID 4730121
5-bromo-6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
CID 1034230

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-(4-phenyldiazenylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-6-chloro-N-(4-phenyldiazenylphenyl)pyridine-3-sulfonamide (CID 4730055) is 5-bromo-6-chloro-N-(4-phenyldiazenylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-6-chloro-N-(4-phenyldiazenylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-6-chloro-N-(4-phenyldiazenylphenyl)pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(/N=N/c2ccccc2)cc1)c1cnc(Cl)c(Br)c1.
What is the InChIKey of 5-bromo-6-chloro-N-(4-phenyldiazenylphenyl)pyridine-3-sulfonamide?
The InChIKey is MLNURBAUSMHEJG-QURGRASLSA-N. The full InChI is InChI=1S/C17H12BrClN4O2S/c18-16-10-15(11-20-17(16)19)26(24,25)23-14-8-6-13(7-9-14)22-21-12-4-2-1-3-5-12/h1-11,23H/b22-21+.
What are the key properties of 5-bromo-6-chloro-N-(4-phenyldiazenylphenyl)pyridine-3-sulfonamide?
5-bromo-6-chloro-N-(4-phenyldiazenylphenyl)pyridine-3-sulfonamide has a molecular weight of 451.73 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-(4-phenyldiazenylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 4730055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).