2-fluoro-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide

C13H8F5NO2S — CID 3773683

IUPAC2-fluoro-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1C(F)(F)F)c1ccccc1F
InChIInChI=1S/C13H8F5NO2S/c14-8-5-6-11(9(7-8)13(16,17)18)19-22(20,21)12-4-2-1-3-10(12)15/h1-7,19H
InChIKeyOFTPACDBOVZUNK-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.78
Rot. Bonds3

About 2-fluoro-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide

2-fluoro-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 3773683) has the molecular formula C13H8F5NO2S and a molecular weight of 337.27 g/mol. Its IUPAC name is 2-fluoro-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID3773683
Molecular FormulaC13H8F5NO2S
Molecular Weight337.27 g/mol
Exact Mass337.02
IUPAC Name2-fluoro-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1C(F)(F)F)c1ccccc1F
InChIInChI=1S/C13H8F5NO2S/c14-8-5-6-11(9(7-8)13(16,17)18)19-22(20,21)12-4-2-1-3-10(12)15/h1-7,19H
InChIKeyOFTPACDBOVZUNK-UHFFFAOYSA-N
XLogP3.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-N-[4-fluoro-2-(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-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 82015576
3-[[4-fluoro-2-(trifluoromethyl)phenyl]sulfamoyl]benzenesulfonyl chloride
CID 15057617
2,5-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 27301700
2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3851198
4-chloro-N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 2506765
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
2-fluoro-N-[3-fluoro-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3867857
3-[[2-[[4-fluoro-2-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 19764013
2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 172801513
2-fluoro-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 47784131
N-(2,4-dichlorophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 18289032

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide (CID 3773683) is 2-fluoro-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1C(F)(F)F)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is OFTPACDBOVZUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5NO2S/c14-8-5-6-11(9(7-8)13(16,17)18)19-22(20,21)12-4-2-1-3-10(12)15/h1-7,19H.
What are the key properties of 2-fluoro-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide?
2-fluoro-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 337.27 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3773683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).