4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide

C15H14N6O3S — CID 102253854

IUPAC4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
SMILESCC1=NNC(=O)C1/N=N/c1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C15H14N6O3S/c1-10-14(15(22)20-17-10)19-18-11-5-7-12(8-6-11)25(23,24)21-13-4-2-3-9-16-13/h2-9,14H,1H3,(H,16,21)(H,20,22)/b19-18+
InChIKeyNBVCYDHXPAJJND-VHEBQXMUSA-N
MW358.38 g/mol
LogP1.84
Rot. Bonds5

About 4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide

4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 102253854) has the molecular formula C15H14N6O3S and a molecular weight of 358.38 g/mol. Its IUPAC name is 4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
PubChem CID102253854
Molecular FormulaC15H14N6O3S
Molecular Weight358.38 g/mol
Exact Mass358.08
IUPAC Name4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
SMILESCC1=NNC(=O)C1/N=N/c1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C15H14N6O3S/c1-10-14(15(22)20-17-10)19-18-11-5-7-12(8-6-11)25(23,24)21-13-4-2-3-9-16-13/h2-9,14H,1H3,(H,16,21)(H,20,22)/b19-18+
InChIKeyNBVCYDHXPAJJND-VHEBQXMUSA-N
XLogP1.84
TPSA125.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

4-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
CID 72735611
4-[(1-benzoyl-3-methyl-5-oxo-4H-pyrazol-4-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 46226710
4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
CID 68756822
2-hydroxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl](14C)benzoic acid
CID 136795422
4-(2-methylcyclopropyl)-N-pyridin-2-ylbenzenesulfonamide
CID 142447089
4-[(4-hydroxy-3-propanoylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
CID 167078695
4-[[2-(4-chlorobenzoyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-N-pyridin-2-ylbenzenesulfonamide
CID 137042855
4-amino-N-pyridin-2-ylbenzenesulfonamide;molecular nitrogen
CID 174728998
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
2-[[4-[[2-[[difluoro(oxo)-λ6-sulfanylidene]amino]-4-fluorosulfonyloxy-5-methylphenyl]diazenyl]phenyl]sulfonylamino]pyridine
CID 139507027
5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]-2-sulfooxybenzoic acid
CID 170455182
4-[[(4S)-1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 98542324

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide (CID 102253854) is 4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide is CC1=NNC(=O)C1/N=N/c1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is NBVCYDHXPAJJND-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H14N6O3S/c1-10-14(15(22)20-17-10)19-18-11-5-7-12(8-6-11)25(23,24)21-13-4-2-3-9-16-13/h2-9,14H,1H3,(H,16,21)(H,20,22)/b19-18+.
What are the key properties of 4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide?
4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 358.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 102253854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).