2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide

C20H18FNO2S — CID 23217294

IUPAC2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide
SMILESCc1cc(-c2ccccc2-c2ccccc2S(N)(=O)=O)cc(C)c1F
InChIInChI=1S/C20H18FNO2S/c1-13-11-15(12-14(2)20(13)21)16-7-3-4-8-17(16)18-9-5-6-10-19(18)25(22,23)24/h3-12H,1-2H3,(H2,22,23,24)
InChIKeyWEHVMCBIIUNOQK-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.42
Rot. Bonds3

About 2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide

2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide (PubChem CID 23217294) has the molecular formula C20H18FNO2S and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide
PubChem CID23217294
Molecular FormulaC20H18FNO2S
Molecular Weight355.43 g/mol
Exact Mass355.10
IUPAC Name2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide
SMILESCc1cc(-c2ccccc2-c2ccccc2S(N)(=O)=O)cc(C)c1F
InChIInChI=1S/C20H18FNO2S/c1-13-11-15(12-14(2)20(13)21)16-7-3-4-8-17(16)18-9-5-6-10-19(18)25(22,23)24/h3-12H,1-2H3,(H2,22,23,24)
InChIKeyWEHVMCBIIUNOQK-UHFFFAOYSA-N
XLogP4.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]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 2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide (CID 23217294) is 2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide is Cc1cc(-c2ccccc2-c2ccccc2S(N)(=O)=O)cc(C)c1F.
What is the InChIKey of 2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide?
The InChIKey is WEHVMCBIIUNOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2S/c1-13-11-15(12-14(2)20(13)21)16-7-3-4-8-17(16)18-9-5-6-10-19(18)25(22,23)24/h3-12H,1-2H3,(H2,22,23,24).
What are the key properties of 2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide?
2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide has a molecular weight of 355.43 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-3,5-dimethylphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 23217294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).