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

C13H14N4O2S — CID 7536006

IUPAC3-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H14N4O2S/c1-9-13(10(2)17(3)15-9)16-20(18,19)12-6-4-5-11(7-12)8-14/h4-7,16H,1-3H3
InChIKeyJZBWYMXZFKCZOZ-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.71
Rot. Bonds3

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

3-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 7536006) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 3-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID7536006
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name3-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H14N4O2S/c1-9-13(10(2)17(3)15-9)16-20(18,19)12-6-4-5-11(7-12)8-14/h4-7,16H,1-3H3
InChIKeyJZBWYMXZFKCZOZ-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
US9156811, Ddd88191
CID 58561258
US9156811, Ddd88559
CID 58561335
US9156811, Ddd99830
CID 117905351
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-methylbenzenesulfonamide
CID 6499784
N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 804168
4-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 895190
US9156811, Ddd99761
CID 46179309
US9156811, Ddd100093
CID 58561177

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 7536006) is 3-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is JZBWYMXZFKCZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-9-13(10(2)17(3)15-9)16-20(18,19)12-6-4-5-11(7-12)8-14/h4-7,16H,1-3H3.
What are the key properties of 3-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
3-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 3-cyano-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 7536006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).