N-[4-[[(4S)-3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylacetamide

C18H16N6O5S — CID 98537868

IUPACN-[4-[[(4S)-3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(/N=N/[C@@H]2C(=O)N(C(=O)c3ccncc3)N=C2C)cc1
InChIInChI=1S/C18H16N6O5S/c1-11-16(18(27)24(22-11)17(26)13-7-9-19-10-8-13)21-20-14-3-5-15(6-4-14)30(28,29)23-12(2)25/h3-10,16H,1-2H3,(H,23,25)/b21-20+/t16-/m0/s1
InChIKeyGTFYXSJCBAJBAZ-BZROSYFNSA-N
MW428.43 g/mol
LogP1.42
Rot. Bonds5

About N-[4-[[(4S)-3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylacetamide

N-[4-[[(4S)-3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylacetamide (PubChem CID 98537868) has the molecular formula C18H16N6O5S and a molecular weight of 428.43 g/mol. Its IUPAC name is N-[4-[[(4S)-3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[[(4S)-3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylacetamide
PubChem CID98537868
Molecular FormulaC18H16N6O5S
Molecular Weight428.43 g/mol
Exact Mass428.09
IUPAC NameN-[4-[[(4S)-3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(/N=N/[C@@H]2C(=O)N(C(=O)c3ccncc3)N=C2C)cc1
InChIInChI=1S/C18H16N6O5S/c1-11-16(18(27)24(22-11)17(26)13-7-9-19-10-8-13)21-20-14-3-5-15(6-4-14)30(28,29)23-12(2)25/h3-10,16H,1-2H3,(H,23,25)/b21-20+/t16-/m0/s1
InChIKeyGTFYXSJCBAJBAZ-BZROSYFNSA-N
XLogP1.42
TPSA150.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[4-[[(4S)-3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1-benzoyl-3-methyl-5-oxo-4H-pyrazol-4-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 46226710
4-[[(4S)-1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 98542324
4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-(6-chloropyridazin-3-yl)benzenesulfonamide
CID 58302524
4-[[1-(4-chlorobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
CID 58302636
(4S)-4-[(4-carbamoylphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carboxamide
CID 98119033
4-[(1-carbamothioyl-3-methyl-5-oxo-4H-pyrazol-4-yl)diazenyl]benzamide
CID 3819848
1,5-dimethyl-4-[[(4S)-3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]-2-phenylpyrazol-3-one
CID 98537888
4-[(4-benzoylphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide
CID 3106399
(4S)-3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazole-1-carbothioamide
CID 92539911
4-[(3-bromo-4-methylphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazole-1-carbothioamide
CID 3106406
(4R)-5-methyl-4-[(4-methylsulfonylphenyl)diazenyl]-2-phenyl-4H-pyrazol-3-one
CID 98285017
N-(4-acetylphenyl)sulfonyl-3-pyridin-4-ylbut-2-enamide
CID 126816784

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4S)-3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[[(4S)-3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylacetamide (CID 98537868) is N-[4-[[(4S)-3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[[(4S)-3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[[(4S)-3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(/N=N/[C@@H]2C(=O)N(C(=O)c3ccncc3)N=C2C)cc1.
What is the InChIKey of N-[4-[[(4S)-3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylacetamide?
The InChIKey is GTFYXSJCBAJBAZ-BZROSYFNSA-N. The full InChI is InChI=1S/C18H16N6O5S/c1-11-16(18(27)24(22-11)17(26)13-7-9-19-10-8-13)21-20-14-3-5-15(6-4-14)30(28,29)23-12(2)25/h3-10,16H,1-2H3,(H,23,25)/b21-20+/t16-/m0/s1.
What are the key properties of N-[4-[[(4S)-3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylacetamide?
N-[4-[[(4S)-3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylacetamide has a molecular weight of 428.43 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4S)-3-methyl-5-oxo-1-(pyridine-4-carbonyl)-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylacetamide is sourced from PubChem (CID 98537868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).