2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide

C13H8F5NO3S — CID 3851198

IUPAC2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1OC(F)(F)F)c1ccc(F)cc1F
InChIInChI=1S/C13H8F5NO3S/c14-8-5-6-12(9(15)7-8)23(20,21)19-10-3-1-2-4-11(10)22-13(16,17)18/h1-7,19H
InChIKeyVINFRJCYLLAESK-UHFFFAOYSA-N
MW353.27 g/mol
LogP3.66
Rot. Bonds4

About 2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide

2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide (PubChem CID 3851198) has the molecular formula C13H8F5NO3S and a molecular weight of 353.27 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
PubChem CID3851198
Molecular FormulaC13H8F5NO3S
Molecular Weight353.27 g/mol
Exact Mass353.01
IUPAC Name2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1OC(F)(F)F)c1ccc(F)cc1F
InChIInChI=1S/C13H8F5NO3S/c14-8-5-6-12(9(15)7-8)23(20,21)19-10-3-1-2-4-11(10)22-13(16,17)18/h1-7,19H
InChIKeyVINFRJCYLLAESK-UHFFFAOYSA-N
XLogP3.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-difluoro-N-[2-(trifluoromethoxy)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

Related Compounds

2,5-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 27301700
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 18148145
2-chloro-4-methyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 32676606
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 8500760
2-fluoro-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3773683
3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3460603
4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3503977

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide (CID 3851198) is 2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1OC(F)(F)F)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
The InChIKey is VINFRJCYLLAESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5NO3S/c14-8-5-6-12(9(15)7-8)23(20,21)19-10-3-1-2-4-11(10)22-13(16,17)18/h1-7,19H.
What are the key properties of 2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide has a molecular weight of 353.27 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 3851198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).