4-cyano-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide

C13H14N4O2S — CID 24708299

IUPAC4-cyano-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
SMILESCC(C)n1nccc1NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C13H14N4O2S/c1-10(2)17-13(7-8-15-17)16-20(18,19)12-5-3-11(9-14)4-6-12/h3-8,10,16H,1-2H3
InChIKeyUZCBYJWGUYKCLE-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.14
Rot. Bonds4

About 4-cyano-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide

4-cyano-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide (PubChem CID 24708299) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-cyano-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
PubChem CID24708299
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name4-cyano-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
SMILESCC(C)n1nccc1NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C13H14N4O2S/c1-10(2)17-13(7-8-15-17)16-20(18,19)12-5-3-11(9-14)4-6-12/h3-8,10,16H,1-2H3
InChIKeyUZCBYJWGUYKCLE-UHFFFAOYSA-N
XLogP2.14
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyano-N-(2-propan-2-ylpyrazol-3-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

4-cyano-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]benzenesulfonamide
CID 90285799
5-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 43149865
5-chloro-6-hydrazinyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-sulfonamide
CID 64607395
2-[4-(4-cyanophenyl)phenoxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39063488
4-(methylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30186458
2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 43258247
2-amino-4-bromo-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 43258241
4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79043385
1-cyano-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 60678365
N-(2-butan-2-ylpyrazol-3-yl)-3,4-dimethoxybenzenesulfonamide
CID 56725241
5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 62803072
4-cyano-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 25044190

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide (CID 24708299) is 4-cyano-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide is CC(C)n1nccc1NS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is UZCBYJWGUYKCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-10(2)17-13(7-8-15-17)16-20(18,19)12-5-3-11(9-14)4-6-12/h3-8,10,16H,1-2H3.
What are the key properties of 4-cyano-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
4-cyano-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 290.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 24708299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).