4-[5-[2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide

C23H16N6O3S — CID 3444456

IUPAC4-[5-[2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide
SMILESN#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nn(-c2ccccc2)c(N)c1C#N
InChIInChI=1S/C23H16N6O3S/c24-13-16(22-20(14-25)23(26)29(28-22)17-4-2-1-3-5-17)12-18-8-11-21(32-18)15-6-9-19(10-7-15)33(27,30)31/h1-12H,26H2,(H2,27,30,31)
InChIKeyYGDWFUHQQBMMOH-UHFFFAOYSA-N
MW456.49 g/mol
LogP3.30
Rot. Bonds5

About 4-[5-[2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide

4-[5-[2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide (PubChem CID 3444456) has the molecular formula C23H16N6O3S and a molecular weight of 456.49 g/mol. Its IUPAC name is 4-[5-[2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide
PubChem CID3444456
Molecular FormulaC23H16N6O3S
Molecular Weight456.49 g/mol
Exact Mass456.10
IUPAC Name4-[5-[2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide
SMILESN#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nn(-c2ccccc2)c(N)c1C#N
InChIInChI=1S/C23H16N6O3S/c24-13-16(22-20(14-25)23(26)29(28-22)17-4-2-1-3-5-17)12-18-8-11-21(32-18)15-6-9-19(10-7-15)33(27,30)31/h1-12H,26H2,(H2,27,30,31)
InChIKeyYGDWFUHQQBMMOH-UHFFFAOYSA-N
XLogP3.30
TPSA164.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze 4-[5-[2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide with MolForge

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Related Compounds

(E)-2-cyano-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-N-(5-methyl-2-phenylpyrazol-3-yl)prop-2-enamide
CID 6011596
2-Cyano-N-(5-methyl-2-phenyl-2H-pyrazol-3-yl)-3-(5-p-tolyl-furan-2-yl)-acrylamide
CID 1554430
(Z)-2-cyano-3-[5-[4-(difluoromethylthio)phenyl]-2-furanyl]-N-(5-methyl-2-phenyl-3-pyrazolyl)-2-propenamide
CID 44601713
5-amino-3-{(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
CID 5290885
5-amino-3-[(Z)-2-[5-(3-chlorophenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
CID 5724571
N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-(3,5-dimethylphenyl)pyrazol-5-yl]-3-fluorobenzenesulfonamide
CID 2742798
5-amino-3-[(Z)-2-[5-(2-chlorophenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
CID 5286841
5-amino-3-[(Z)-1-cyano-2-[5-(2-nitrophenyl)furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 5340906
4-[5-Amino-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide
CID 2742753
5-amino-3-{(Z)-1-cyano-2-[5-(2-methyl-5-nitrophenyl)furan-2-yl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
CID 5728372
5-amino-3-[(Z)-1-cyano-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 5290006
5-Amino-3-[(1Z)-1-cyano-2-[5-(4-fluorophenyl)furan-2-YL]eth-1-EN-1-YL]-1-phenyl-1H-pyrazole-4-carbonitrile
CID 5290592

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide (CID 3444456) is 4-[5-[2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide is N#CC(=Cc1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)c1nn(-c2ccccc2)c(N)c1C#N.
What is the InChIKey of 4-[5-[2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide?
The InChIKey is YGDWFUHQQBMMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6O3S/c24-13-16(22-20(14-25)23(26)29(28-22)17-4-2-1-3-5-17)12-18-8-11-21(32-18)15-6-9-19(10-7-15)33(27,30)31/h1-12H,26H2,(H2,27,30,31).
What are the key properties of 4-[5-[2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide?
4-[5-[2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide has a molecular weight of 456.49 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]furan-2-yl]benzenesulfonamide is sourced from PubChem (CID 3444456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).