4-[(4Z)-3-methyl-5-oxo-4-[(E)-3-phenylprop-2-enylidene]pyrazol-1-yl]benzenesulfonamide

C19H17N3O3S — CID 5431473

IUPAC4-[(4Z)-3-methyl-5-oxo-4-[(E)-3-phenylprop-2-enylidene]pyrazol-1-yl]benzenesulfonamide
SMILESCC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\C=C\c1ccccc1
InChIInChI=1S/C19H17N3O3S/c1-14-18(9-5-8-15-6-3-2-4-7-15)19(23)22(21-14)16-10-12-17(13-11-16)26(20,24)25/h2-13H,1H3,(H2,20,24,25)/b8-5+,18-9-
InChIKeyFARYOKAWTPICDA-WCTLISOUSA-N
MW367.43 g/mol
LogP2.70
Rot. Bonds4

About 4-[(4Z)-3-methyl-5-oxo-4-[(E)-3-phenylprop-2-enylidene]pyrazol-1-yl]benzenesulfonamide

4-[(4Z)-3-methyl-5-oxo-4-[(E)-3-phenylprop-2-enylidene]pyrazol-1-yl]benzenesulfonamide (PubChem CID 5431473) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-[(4Z)-3-methyl-5-oxo-4-[(E)-3-phenylprop-2-enylidene]pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4Z)-3-methyl-5-oxo-4-[(E)-3-phenylprop-2-enylidene]pyrazol-1-yl]benzenesulfonamide
PubChem CID5431473
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name4-[(4Z)-3-methyl-5-oxo-4-[(E)-3-phenylprop-2-enylidene]pyrazol-1-yl]benzenesulfonamide
SMILESCC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\C=C\c1ccccc1
InChIInChI=1S/C19H17N3O3S/c1-14-18(9-5-8-15-6-3-2-4-7-15)19(23)22(21-14)16-10-12-17(13-11-16)26(20,24)25/h2-13H,1H3,(H2,20,24,25)/b8-5+,18-9-
InChIKeyFARYOKAWTPICDA-WCTLISOUSA-N
XLogP2.70
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[(4Z)-3-methyl-5-oxo-4-[(E)-3-phenylprop-2-enylidene]pyrazol-1-yl]benzenesulfonamide 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

Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methyl-
CID 67038
6-Phenyl-2-benzenesulfonamide-4,5-dihydropyridazine-3(2H)-one
CID 17562622
4-[3-(4-Cyclohexylphenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
CID 127027664
4-(3-Methyl-6-oxo-4,5-dihydropyridazin-1-yl)benzenesulfonamide
CID 155517996
4-(4-Methyl-1-oxophthalazin-2-yl)benzenesulfonamide
CID 155544382
4-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylazo)-benzenesulfonamide
CID 271030
N-benzyl-4-(4-isopropyl-2,3-dimethyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide
CID 1504737
1-Phenyl-3-methyl-4-benzal-5-pyrazolone
CID 309224
Dipotassium p-(4,5-dihydro-4-((5-hydroxy-3-methyl-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)methylene)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate
CID 5491256
4-[(4E)-4-[(4-chlorophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid
CID 5771616
5-methyl-2-phenyl-4-(3-phenyl-2-propenylidene)-2,4-dihydro-3H-pyrazol-3-one
CID 6339121
6-(4-Ethylphenyl)-2-benzenesulfonamidepyridazine-3(2H)-one
CID 54612980

Frequently Asked Questions

What is the IUPAC name of 4-[(4Z)-3-methyl-5-oxo-4-[(E)-3-phenylprop-2-enylidene]pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[(4Z)-3-methyl-5-oxo-4-[(E)-3-phenylprop-2-enylidene]pyrazol-1-yl]benzenesulfonamide (CID 5431473) is 4-[(4Z)-3-methyl-5-oxo-4-[(E)-3-phenylprop-2-enylidene]pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[(4Z)-3-methyl-5-oxo-4-[(E)-3-phenylprop-2-enylidene]pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[(4Z)-3-methyl-5-oxo-4-[(E)-3-phenylprop-2-enylidene]pyrazol-1-yl]benzenesulfonamide is CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\C=C\c1ccccc1.
What is the InChIKey of 4-[(4Z)-3-methyl-5-oxo-4-[(E)-3-phenylprop-2-enylidene]pyrazol-1-yl]benzenesulfonamide?
The InChIKey is FARYOKAWTPICDA-WCTLISOUSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-14-18(9-5-8-15-6-3-2-4-7-15)19(23)22(21-14)16-10-12-17(13-11-16)26(20,24)25/h2-13H,1H3,(H2,20,24,25)/b8-5+,18-9-.
What are the key properties of 4-[(4Z)-3-methyl-5-oxo-4-[(E)-3-phenylprop-2-enylidene]pyrazol-1-yl]benzenesulfonamide?
4-[(4Z)-3-methyl-5-oxo-4-[(E)-3-phenylprop-2-enylidene]pyrazol-1-yl]benzenesulfonamide has a molecular weight of 367.43 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4Z)-3-methyl-5-oxo-4-[(E)-3-phenylprop-2-enylidene]pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 5431473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).