2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide

C13H7F6NO2S — CID 22773502

IUPAC2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1F)c1cc(F)ccc1F
InChIInChI=1S/C13H7F6NO2S/c14-8-2-4-10(16)12(6-8)23(21,22)20-11-5-7(13(17,18)19)1-3-9(11)15/h1-6,20H
InChIKeyBFDSKMPNMOIRFE-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.92
Rot. Bonds3

About 2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide

2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 22773502) has the molecular formula C13H7F6NO2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID22773502
Molecular FormulaC13H7F6NO2S
Molecular Weight355.26 g/mol
Exact Mass355.01
IUPAC Name2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1F)c1cc(F)ccc1F
InChIInChI=1S/C13H7F6NO2S/c14-8-2-4-10(16)12(6-8)23(21,22)20-11-5-7(13(17,18)19)1-3-9(11)15/h1-6,20H
InChIKeyBFDSKMPNMOIRFE-UHFFFAOYSA-N
XLogP3.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-difluoro-N-[2-fluoro-5-(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

Related Compounds

N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 51557780
N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 17376520
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22773507
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
2,5-difluoro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 43090875
N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 22773510
2,5-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 27301700
N-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 22773509
N-(2-chlorophenyl)-2,5-difluorobenzenesulfonamide
CID 9234601
2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 63037026

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide (CID 22773502) is 2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cc(C(F)(F)F)ccc1F)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is BFDSKMPNMOIRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6NO2S/c14-8-2-4-10(16)12(6-8)23(21,22)20-11-5-7(13(17,18)19)1-3-9(11)15/h1-6,20H.
What are the key properties of 2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide?
2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 22773502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).