4-[3-fluoro-4-(trifluoromethyl)phenyl]benzenesulfonamide

C13H9F4NO2S — CID 44590437

IUPAC4-[3-fluoro-4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C13H9F4NO2S/c14-12-7-9(3-6-11(12)13(15,16)17)8-1-4-10(5-2-8)21(18,19)20/h1-7H,(H2,18,19,20)
InChIKeyUEPKMFLFRNDVAW-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.16
Rot. Bonds2

About 4-[3-fluoro-4-(trifluoromethyl)phenyl]benzenesulfonamide

4-[3-fluoro-4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 44590437) has the molecular formula C13H9F4NO2S and a molecular weight of 319.28 g/mol. Its IUPAC name is 4-[3-fluoro-4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-fluoro-4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID44590437
Molecular FormulaC13H9F4NO2S
Molecular Weight319.28 g/mol
Exact Mass319.03
IUPAC Name4-[3-fluoro-4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C13H9F4NO2S/c14-12-7-9(3-6-11(12)13(15,16)17)8-1-4-10(5-2-8)21(18,19)20/h1-7H,(H2,18,19,20)
InChIKeyUEPKMFLFRNDVAW-UHFFFAOYSA-N
XLogP3.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[3-fluoro-4-(trifluoromethyl)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 4-[3-fluoro-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[3-fluoro-4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 44590437) is 4-[3-fluoro-4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[3-fluoro-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[3-fluoro-4-(trifluoromethyl)phenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1.
What is the InChIKey of 4-[3-fluoro-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is UEPKMFLFRNDVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO2S/c14-12-7-9(3-6-11(12)13(15,16)17)8-1-4-10(5-2-8)21(18,19)20/h1-7H,(H2,18,19,20).
What are the key properties of 4-[3-fluoro-4-(trifluoromethyl)phenyl]benzenesulfonamide?
4-[3-fluoro-4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 319.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 44590437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).