4-[3-(cyanomethyl)-5-(4-thiophen-3-ylphenyl)pyrazol-1-yl]benzenesulfonamide

C21H16N4O2S2 — CID 15908398

IUPAC4-[3-(cyanomethyl)-5-(4-thiophen-3-ylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESN#CCc1cc(-c2ccc(-c3ccsc3)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C21H16N4O2S2/c22-11-9-18-13-21(16-3-1-15(2-4-16)17-10-12-28-14-17)25(24-18)19-5-7-20(8-6-19)29(23,26)27/h1-8,10,12-14H,9H2,(H2,23,26,27)
InChIKeyFIDLTSLNPPCASS-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.98
Rot. Bonds5

About 4-[3-(cyanomethyl)-5-(4-thiophen-3-ylphenyl)pyrazol-1-yl]benzenesulfonamide

4-[3-(cyanomethyl)-5-(4-thiophen-3-ylphenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 15908398) has the molecular formula C21H16N4O2S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 4-[3-(cyanomethyl)-5-(4-thiophen-3-ylphenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(cyanomethyl)-5-(4-thiophen-3-ylphenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID15908398
Molecular FormulaC21H16N4O2S2
Molecular Weight420.52 g/mol
Exact Mass420.07
IUPAC Name4-[3-(cyanomethyl)-5-(4-thiophen-3-ylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESN#CCc1cc(-c2ccc(-c3ccsc3)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C21H16N4O2S2/c22-11-9-18-13-21(16-3-1-15(2-4-16)17-10-12-28-14-17)25(24-18)19-5-7-20(8-6-19)29(23,26)27/h1-8,10,12-14H,9H2,(H2,23,26,27)
InChIKeyFIDLTSLNPPCASS-UHFFFAOYSA-N
XLogP3.98
TPSA101.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-(cyanomethyl)-5-(4-thiophen-3-ylphenyl)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

2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid
CID 12052546
[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methanesulfinic acid
CID 137462338
4-(3,5-diphenylpyrazol-1-yl)benzenesulfonamide
CID 3878623
2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide
CID 139817988
4-[5-(4-nitrophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10201726
3-[[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]propyl nitrate
CID 68818610
1-hydroxy-1-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]urea
CID 87973346
4-[5-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)pyrazol-1-yl]benzenesulfonamide;ethane
CID 142913120
4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-pyridin-4-ylpyridine
CID 139199315
sodium;hydride;4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;hydrate
CID 173010956
4-[5-(2-chlorophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide
CID 67760171
N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-sulfamoylphenyl)-5-thiophen-3-ylpyrazole-3-carboxamide
CID 171345118

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyanomethyl)-5-(4-thiophen-3-ylphenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(cyanomethyl)-5-(4-thiophen-3-ylphenyl)pyrazol-1-yl]benzenesulfonamide (CID 15908398) is 4-[3-(cyanomethyl)-5-(4-thiophen-3-ylphenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(cyanomethyl)-5-(4-thiophen-3-ylphenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(cyanomethyl)-5-(4-thiophen-3-ylphenyl)pyrazol-1-yl]benzenesulfonamide is N#CCc1cc(-c2ccc(-c3ccsc3)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[3-(cyanomethyl)-5-(4-thiophen-3-ylphenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is FIDLTSLNPPCASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S2/c22-11-9-18-13-21(16-3-1-15(2-4-16)17-10-12-28-14-17)25(24-18)19-5-7-20(8-6-19)29(23,26)27/h1-8,10,12-14H,9H2,(H2,23,26,27).
What are the key properties of 4-[3-(cyanomethyl)-5-(4-thiophen-3-ylphenyl)pyrazol-1-yl]benzenesulfonamide?
4-[3-(cyanomethyl)-5-(4-thiophen-3-ylphenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 420.52 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyanomethyl)-5-(4-thiophen-3-ylphenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 15908398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).