4-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide

C20H20N4O3S — CID 72735611

IUPAC4-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1c(C)cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C
InChIInChI=1S/C20H20N4O3S/c1-14-12-17(13-15(2)20(14)27-3)23-22-16-7-9-18(10-8-16)28(25,26)24-19-6-4-5-11-21-19/h4-13H,1-3H3,(H,21,24)/b23-22+
InChIKeyXSXTVZGIXAQCCK-GHVJWSGMSA-N
MW396.47 g/mol
LogP4.92
Rot. Bonds6

About 4-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide

4-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 72735611) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 4-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
PubChem CID72735611
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name4-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
SMILESCOc1c(C)cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C
InChIInChI=1S/C20H20N4O3S/c1-14-12-17(13-15(2)20(14)27-3)23-22-16-7-9-18(10-8-16)28(25,26)24-19-6-4-5-11-21-19/h4-13H,1-3H3,(H,21,24)/b23-22+
InChIKeyXSXTVZGIXAQCCK-GHVJWSGMSA-N
XLogP4.92
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[[2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-4-fluorosulfonyloxy-5-methylphenyl]diazenyl]phenyl]sulfonylamino]pyridine
CID 139507027
2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl](14C)benzoic acid
CID 136795422
5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]-2-sulfooxybenzoic acid
CID 170455182
4-[(4-hydroxy-3-propanoylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
CID 167078695
4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
CID 102253854
3-[2-(ethylamino)-2-oxoethyl]-2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid
CID 150121032
4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide
CID 674105
4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
CID 135860245
4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
CID 68756822
5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 25048503
4-amino-N-pyridin-2-ylbenzenesulfonamide;molecular nitrogen
CID 174728998
2,3,5,6-tetramethyl-N-pyridin-2-ylbenzenesulfonamide
CID 2147472

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide (CID 72735611) is 4-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide is COc1c(C)cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C.
What is the InChIKey of 4-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is XSXTVZGIXAQCCK-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-14-12-17(13-15(2)20(14)27-3)23-22-16-7-9-18(10-8-16)28(25,26)24-19-6-4-5-11-21-19/h4-13H,1-3H3,(H,21,24)/b23-22+.
What are the key properties of 4-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide?
4-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 396.47 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 72735611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).