2-cyano-3-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

C13H13FN4O2S — CID 71997589

IUPAC2-cyano-3-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESCN(CCn1cccn1)S(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C13H13FN4O2S/c1-17(8-9-18-7-3-6-16-18)21(19,20)13-5-2-4-12(14)11(13)10-15/h2-7H,8-9H2,1H3
InChIKeyJNXWMAYWUBHZDM-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.21
Rot. Bonds5

About 2-cyano-3-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

2-cyano-3-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (PubChem CID 71997589) has the molecular formula C13H13FN4O2S and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-cyano-3-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-3-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
PubChem CID71997589
Molecular FormulaC13H13FN4O2S
Molecular Weight308.34 g/mol
Exact Mass308.07
IUPAC Name2-cyano-3-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESCN(CCn1cccn1)S(=O)(=O)c1cccc(F)c1C#N
InChIInChI=1S/C13H13FN4O2S/c1-17(8-9-18-7-3-6-16-18)21(19,20)13-5-2-4-12(14)11(13)10-15/h2-7H,8-9H2,1H3
InChIKeyJNXWMAYWUBHZDM-UHFFFAOYSA-N
XLogP1.21
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyano-3-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)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

1-(1-Ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 6467767
1-(4-fluorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide
CID 45821824
3-cyano-4-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzenesulfonamide
CID 53588627
4-cyano-N-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 53589939
2-fluoro-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 53597597
3-chloro-2-cyano-N-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 56805672
1-(2-(1H-pyrazol-1-yl)ethyl)-4-((2-fluorophenyl)sulfonyl)piperazine
CID 71783850
1-(2-{4-[m-(Trifluoromethyl)phenylsulfonyl]-1,4-diazepan-1-yl}ethyl)pyrazole
CID 71790564
1-(2-{4-[(p-Fluorophenyl)methylsulfonyl]-1,4-diazepan-1-yl}ethyl)pyrazole
CID 71790568
3-Fluoro-5-methyl-N-[(1-methylpyrazol-4-YL)methyl]-N-propylbenzenesulfonamide
CID 71982214
2-cyano-3-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzenesulfonamide
CID 71997611
N-[1-(3-cyanopropyl)pyrazol-3-yl]-3-fluoro-5-methylbenzenesulfonamide
CID 75376208

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2-cyano-3-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (CID 71997589) is 2-cyano-3-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-3-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-3-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is CN(CCn1cccn1)S(=O)(=O)c1cccc(F)c1C#N.
What is the InChIKey of 2-cyano-3-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The InChIKey is JNXWMAYWUBHZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2S/c1-17(8-9-18-7-3-6-16-18)21(19,20)13-5-2-4-12(14)11(13)10-15/h2-7H,8-9H2,1H3.
What are the key properties of 2-cyano-3-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
2-cyano-3-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide has a molecular weight of 308.34 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-fluoro-N-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 71997589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).