4-cyano-N-[2-cyano-5-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide

C16H13FN4O2S — CID 71848913

IUPAC4-cyano-N-[2-cyano-5-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide
SMILESCN(C)c1ccc(C#N)c(NS(=O)(=O)c2ccc(C#N)cc2F)c1
InChIInChI=1S/C16H13FN4O2S/c1-21(2)13-5-4-12(10-19)15(8-13)20-24(22,23)16-6-3-11(9-18)7-14(16)17/h3-8,20H,1-2H3
InChIKeyZVVDJJXQKGLCLD-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.44
Rot. Bonds4

About 4-cyano-N-[2-cyano-5-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide

4-cyano-N-[2-cyano-5-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide (PubChem CID 71848913) has the molecular formula C16H13FN4O2S and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-cyano-N-[2-cyano-5-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[2-cyano-5-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide
PubChem CID71848913
Molecular FormulaC16H13FN4O2S
Molecular Weight344.37 g/mol
Exact Mass344.07
IUPAC Name4-cyano-N-[2-cyano-5-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide
SMILESCN(C)c1ccc(C#N)c(NS(=O)(=O)c2ccc(C#N)cc2F)c1
InChIInChI=1S/C16H13FN4O2S/c1-21(2)13-5-4-12(10-19)15(8-13)20-24(22,23)16-6-3-11(9-18)7-14(16)17/h3-8,20H,1-2H3
InChIKeyZVVDJJXQKGLCLD-UHFFFAOYSA-N
XLogP2.44
TPSA96.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyano-N-[2-cyano-5-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide 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 4-cyano-N-[2-cyano-5-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 4-cyano-N-[2-cyano-5-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide (CID 71848913) is 4-cyano-N-[2-cyano-5-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[2-cyano-5-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-cyano-N-[2-cyano-5-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide is CN(C)c1ccc(C#N)c(NS(=O)(=O)c2ccc(C#N)cc2F)c1.
What is the InChIKey of 4-cyano-N-[2-cyano-5-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide?
The InChIKey is ZVVDJJXQKGLCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2S/c1-21(2)13-5-4-12(10-19)15(8-13)20-24(22,23)16-6-3-11(9-18)7-14(16)17/h3-8,20H,1-2H3.
What are the key properties of 4-cyano-N-[2-cyano-5-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide?
4-cyano-N-[2-cyano-5-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide has a molecular weight of 344.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-cyano-5-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 71848913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).