3-cyano-4-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide

C11H9FN4O2S — CID 63235640

IUPAC3-cyano-4-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1ccc(NS(=O)(=O)c2ccc(F)c(C#N)c2)n1
InChIInChI=1S/C11H9FN4O2S/c1-16-5-4-11(14-16)15-19(17,18)9-2-3-10(12)8(6-9)7-13/h2-6H,1H3,(H,14,15)
InChIKeySPZUNNQXIMOFNW-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.23
Rot. Bonds3

About 3-cyano-4-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide

3-cyano-4-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 63235640) has the molecular formula C11H9FN4O2S and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-cyano-4-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID63235640
Molecular FormulaC11H9FN4O2S
Molecular Weight280.28 g/mol
Exact Mass280.04
IUPAC Name3-cyano-4-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1ccc(NS(=O)(=O)c2ccc(F)c(C#N)c2)n1
InChIInChI=1S/C11H9FN4O2S/c1-16-5-4-11(14-16)15-19(17,18)9-2-3-10(12)8(6-9)7-13/h2-6H,1H3,(H,14,15)
InChIKeySPZUNNQXIMOFNW-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

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-4-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide (CID 63235640) is 3-cyano-4-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-4-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide is Cn1ccc(NS(=O)(=O)c2ccc(F)c(C#N)c2)n1.
What is the InChIKey of 3-cyano-4-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is SPZUNNQXIMOFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O2S/c1-16-5-4-11(14-16)15-19(17,18)9-2-3-10(12)8(6-9)7-13/h2-6H,1H3,(H,14,15).
What are the key properties of 3-cyano-4-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
3-cyano-4-fluoro-N-(1-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-(1-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 63235640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).