4-[5-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]furan-2-yl]benzenesulfonamide

C26H19N3O4S — CID 17354337

IUPAC4-[5-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]furan-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3c3ccccc3)o2)cc1
InChIInChI=1S/C26H19N3O4S/c27-34(31,32)22-14-11-18(12-15-22)24-16-13-21(33-24)17-23-25(19-7-3-1-4-8-19)28-29(26(23)30)20-9-5-2-6-10-20/h1-17H,(H2,27,31,32)/b23-17-
InChIKeyLEQLTKFANGRBLY-QJOMJCCJSA-N
MW469.52 g/mol
LogP4.43
Rot. Bonds5

About 4-[5-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]furan-2-yl]benzenesulfonamide

4-[5-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]furan-2-yl]benzenesulfonamide (PubChem CID 17354337) has the molecular formula C26H19N3O4S and a molecular weight of 469.52 g/mol. Its IUPAC name is 4-[5-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]furan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]furan-2-yl]benzenesulfonamide
PubChem CID17354337
Molecular FormulaC26H19N3O4S
Molecular Weight469.52 g/mol
Exact Mass469.11
IUPAC Name4-[5-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]furan-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3c3ccccc3)o2)cc1
InChIInChI=1S/C26H19N3O4S/c27-34(31,32)22-14-11-18(12-15-22)24-16-13-21(33-24)17-23-25(19-7-3-1-4-8-19)28-29(26(23)30)20-9-5-2-6-10-20/h1-17H,(H2,27,31,32)/b23-17-
InChIKeyLEQLTKFANGRBLY-QJOMJCCJSA-N
XLogP4.43
TPSA105.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[5-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]furan-2-yl]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

4-[(4Z)-4-[[5-(4-iodophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonamide
CID 50886259
4-[(4E)-4-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonamide
CID 6505367
(4Z)-4-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 6262054
4-[5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]benzoate
CID 7266464
(4E)-4-[[5-(4-acetylphenyl)furan-2-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 124650791
4-[5-[(Z)-[3-methyl-5-oxo-1-(4-sulfamoylphenyl)pyrazol-4-ylidene]methyl]furan-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 50885302
(4E)-4-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-2,5-diphenylpyrazol-3-one
CID 20833705
4-[5-[(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide
CID 3444492
(4Z)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-phenyl-5-(trifluoromethyl)pyrazol-3-one
CID 2292454
(4E)-4-[(2-methylpyrazol-3-yl)methylidene]-2,5-diphenylpyrazol-3-one
CID 19580484
2-methyl-5-[5-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]benzoate
CID 7210965
4-[5-[(Z)-[1-(4-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzenesulfonamide
CID 6072940

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]furan-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]furan-2-yl]benzenesulfonamide (CID 17354337) is 4-[5-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]furan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]furan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]furan-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3c3ccccc3)o2)cc1.
What is the InChIKey of 4-[5-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]furan-2-yl]benzenesulfonamide?
The InChIKey is LEQLTKFANGRBLY-QJOMJCCJSA-N. The full InChI is InChI=1S/C26H19N3O4S/c27-34(31,32)22-14-11-18(12-15-22)24-16-13-21(33-24)17-23-25(19-7-3-1-4-8-19)28-29(26(23)30)20-9-5-2-6-10-20/h1-17H,(H2,27,31,32)/b23-17-.
What are the key properties of 4-[5-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]furan-2-yl]benzenesulfonamide?
4-[5-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]furan-2-yl]benzenesulfonamide has a molecular weight of 469.52 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(Z)-(5-oxo-1,3-diphenylpyrazol-4-ylidene)methyl]furan-2-yl]benzenesulfonamide is sourced from PubChem (CID 17354337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).