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

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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).