2-fluoro-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide

C14H12F4N2O2S — CID 47784131

IUPAC2-fluoro-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1NCC(F)(F)F)c1ccccc1F
InChIInChI=1S/C14H12F4N2O2S/c15-10-5-1-4-8-13(10)23(21,22)20-12-7-3-2-6-11(12)19-9-14(16,17)18/h1-8,19-20H,9H2
InChIKeyLCLYJKSHNRHQPZ-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.60
Rot. Bonds5

About 2-fluoro-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide

2-fluoro-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide (PubChem CID 47784131) has the molecular formula C14H12F4N2O2S and a molecular weight of 348.32 g/mol. Its IUPAC name is 2-fluoro-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
PubChem CID47784131
Molecular FormulaC14H12F4N2O2S
Molecular Weight348.32 g/mol
Exact Mass348.06
IUPAC Name2-fluoro-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1NCC(F)(F)F)c1ccccc1F
InChIInChI=1S/C14H12F4N2O2S/c15-10-5-1-4-8-13(10)23(21,22)20-12-7-3-2-6-11(12)19-9-14(16,17)18/h1-8,19-20H,9H2
InChIKeyLCLYJKSHNRHQPZ-UHFFFAOYSA-N
XLogP3.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 47784110
2-[(2-fluorophenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 8843582
4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 47074325
2-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 28581729
2-fluoro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
CID 26267865
2-chloro-5-methylsulfonyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 60586094
1-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]imidazole-4-sulfonamide
CID 75396743
2-fluoro-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3773683
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide
CID 80974925
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103223902
N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 7938529

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide (CID 47784131) is 2-fluoro-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1NCC(F)(F)F)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide?
The InChIKey is LCLYJKSHNRHQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O2S/c15-10-5-1-4-8-13(10)23(21,22)20-12-7-3-2-6-11(12)19-9-14(16,17)18/h1-8,19-20H,9H2.
What are the key properties of 2-fluoro-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide?
2-fluoro-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide has a molecular weight of 348.32 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 47784131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).