4-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C13H14N4O2S — CID 3498419

IUPAC4-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C13H14N4O2S/c1-9-13(10(2)17(3)15-9)16-20(18,19)12-6-4-11(8-14)5-7-12/h4-7,16H,1-3H3
InChIKeyGESWZLOGMSCISK-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.71
Rot. Bonds3

About 4-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

4-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 3498419) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID3498419
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name4-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C13H14N4O2S/c1-9-13(10(2)17(3)15-9)16-20(18,19)12-6-4-11(8-14)5-7-12/h4-7,16H,1-3H3
InChIKeyGESWZLOGMSCISK-UHFFFAOYSA-N
XLogP1.71
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide
CID 6499783
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3,4-dimethylbenzenesulfonamide
CID 6499785
3,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 8124894
2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 16377462
N-[(E)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6874488
US9156811, Ddd86212
CID 58561096
US9156811, Ddd90023
CID 58561235
US9156811, Ddd99760
CID 58561256
US9156811, Ddd88191
CID 58561258
US9156811, Ddd99758
CID 58561292
US9156811, Ddd88559
CID 58561335
US9156811, Ddd99830
CID 117905351

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 3498419) is 4-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is GESWZLOGMSCISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-9-13(10(2)17(3)15-9)16-20(18,19)12-6-4-11(8-14)5-7-12/h4-7,16H,1-3H3.
What are the key properties of 4-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 3498419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).