4-[5-methyl-3-oxo-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]benzenesulfonamide

C13H12N6O3S2 — CID 135883470

IUPAC4-[5-methyl-3-oxo-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]benzenesulfonamide
SMILESCc1[nH]n(-c2ccc(S(N)(=O)=O)cc2)c(=O)c1/N=N/c1nccs1
InChIInChI=1S/C13H12N6O3S2/c1-8-11(16-17-13-15-6-7-23-13)12(20)19(18-8)9-2-4-10(5-3-9)24(14,21)22/h2-7,18H,1H3,(H2,14,21,22)/b17-16+
InChIKeyWPZDMLSRKKRBAI-WUKNDPDISA-N
MW364.41 g/mol
LogP1.99
Rot. Bonds4

About 4-[5-methyl-3-oxo-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]benzenesulfonamide

4-[5-methyl-3-oxo-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]benzenesulfonamide (PubChem CID 135883470) has the molecular formula C13H12N6O3S2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[5-methyl-3-oxo-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-methyl-3-oxo-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]benzenesulfonamide
PubChem CID135883470
Molecular FormulaC13H12N6O3S2
Molecular Weight364.41 g/mol
Exact Mass364.04
IUPAC Name4-[5-methyl-3-oxo-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]benzenesulfonamide
SMILESCc1[nH]n(-c2ccc(S(N)(=O)=O)cc2)c(=O)c1/N=N/c1nccs1
InChIInChI=1S/C13H12N6O3S2/c1-8-11(16-17-13-15-6-7-23-13)12(20)19(18-8)9-2-4-10(5-3-9)24(14,21)22/h2-7,18H,1H3,(H2,14,21,22)/b17-16+
InChIKeyWPZDMLSRKKRBAI-WUKNDPDISA-N
XLogP1.99
TPSA135.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[[5-methyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
CID 135564870
4-(4-formyl-5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonamide
CID 71761640
4-chloro-2-[[5-methyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]phenolate
CID 136901535
sodium;cobalt;[4-hydroxy-3-[[5-methyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]phenyl]sulfonylazanium;2-[[5-methyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-sulfamoylphenolate
CID 170845788
4-[[5-methyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 136857488
sodium;cobalt;ethyl-[4-hydroxy-3-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]phenyl]sulfonylazanium;2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-4-sulfamoylphenolate
CID 170845880
sodium;chromium;bis(2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-5-methylsulfonylphenolate)
CID 163360205
hydron;iron;tris(2-[[5-methyl-3-oxo-2-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-4-nitrophenolate)
CID 163360267
4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 135565183
sodium;chromium;bis(4-methyl-2-[[5-methyl-3-oxo-2-(3-sulfamoylphenyl)-1H-pyrazol-4-yl]diazenyl]-6-nitrophenolate)
CID 163360240
sodium;chromium;[3-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]phenyl]sulfonylazanium;2-[[5-methyl-3-oxo-2-(3-sulfamoylphenyl)-1H-pyrazol-4-yl]diazenyl]-4-nitrophenolate
CID 170840847
sodium;2-[[1-(4-chlorophenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]-5-(oxidosulfonimidoyl)benzoate;2-[[2-(4-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-sulfamoylbenzoate;chromium(3+)
CID 170840015

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-3-oxo-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-methyl-3-oxo-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]benzenesulfonamide (CID 135883470) is 4-[5-methyl-3-oxo-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-methyl-3-oxo-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-methyl-3-oxo-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]benzenesulfonamide is Cc1[nH]n(-c2ccc(S(N)(=O)=O)cc2)c(=O)c1/N=N/c1nccs1.
What is the InChIKey of 4-[5-methyl-3-oxo-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]benzenesulfonamide?
The InChIKey is WPZDMLSRKKRBAI-WUKNDPDISA-N. The full InChI is InChI=1S/C13H12N6O3S2/c1-8-11(16-17-13-15-6-7-23-13)12(20)19(18-8)9-2-4-10(5-3-9)24(14,21)22/h2-7,18H,1H3,(H2,14,21,22)/b17-16+.
What are the key properties of 4-[5-methyl-3-oxo-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]benzenesulfonamide?
4-[5-methyl-3-oxo-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]benzenesulfonamide has a molecular weight of 364.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-3-oxo-4-(1,3-thiazol-2-yldiazenyl)-1H-pyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 135883470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).