3-cyano-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide

C11H9FN4O2S — CID 63289020

IUPAC3-cyano-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1ccc(F)c(C#N)c1
InChIInChI=1S/C11H9FN4O2S/c1-16-11(4-5-14-16)15-19(17,18)9-2-3-10(12)8(6-9)7-13/h2-6,15H,1H3
InChIKeyVXWWICSXVWSUQF-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.23
Rot. Bonds3

About 3-cyano-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide

3-cyano-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 63289020) has the molecular formula C11H9FN4O2S and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-cyano-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID63289020
Molecular FormulaC11H9FN4O2S
Molecular Weight280.28 g/mol
Exact Mass280.04
IUPAC Name3-cyano-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1ccc(F)c(C#N)c1
InChIInChI=1S/C11H9FN4O2S/c1-16-11(4-5-14-16)15-19(17,18)9-2-3-10(12)8(6-9)7-13/h2-6,15H,1H3
InChIKeyVXWWICSXVWSUQF-UHFFFAOYSA-N
XLogP1.23
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyano-4-fluoro-N-(2-methylpyrazol-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

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide (CID 63289020) is 3-cyano-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide is Cn1nccc1NS(=O)(=O)c1ccc(F)c(C#N)c1.
What is the InChIKey of 3-cyano-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is VXWWICSXVWSUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O2S/c1-16-11(4-5-14-16)15-19(17,18)9-2-3-10(12)8(6-9)7-13/h2-6,15H,1H3.
What are the key properties of 3-cyano-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
3-cyano-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 280.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 63289020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).