3-cyano-4-fluoro-N-methylbenzenesulfonamide

C8H7FN2O2S — CID 63239658

IUPAC3-cyano-4-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(F)c(C#N)c1
InChIInChI=1S/C8H7FN2O2S/c1-11-14(12,13)7-2-3-8(9)6(4-7)5-10/h2-4,11H,1H3
InChIKeyZYQIBYNHXNPUQS-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.61
Rot. Bonds2

About 3-cyano-4-fluoro-N-methylbenzenesulfonamide

3-cyano-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 63239658) has the molecular formula C8H7FN2O2S and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-cyano-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-fluoro-N-methylbenzenesulfonamide
PubChem CID63239658
Molecular FormulaC8H7FN2O2S
Molecular Weight214.22 g/mol
Exact Mass214.02
IUPAC Name3-cyano-4-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(F)c(C#N)c1
InChIInChI=1S/C8H7FN2O2S/c1-11-14(12,13)7-2-3-8(9)6(4-7)5-10/h2-4,11H,1H3
InChIKeyZYQIBYNHXNPUQS-UHFFFAOYSA-N
XLogP0.61
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyano-4-fluoro-N-methylbenzenesulfonamide 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-methylbenzenesulfonamide?
The IUPAC name of 3-cyano-4-fluoro-N-methylbenzenesulfonamide (CID 63239658) is 3-cyano-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-cyano-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 3-cyano-4-fluoro-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(F)c(C#N)c1.
What is the InChIKey of 3-cyano-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is ZYQIBYNHXNPUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2S/c1-11-14(12,13)7-2-3-8(9)6(4-7)5-10/h2-4,11H,1H3.
What are the key properties of 3-cyano-4-fluoro-N-methylbenzenesulfonamide?
3-cyano-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 214.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 63239658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).