4-[1-(2,4-difluorophenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide

C16H15F5N2O2S — CID 133340002

IUPAC4-[1-(2,4-difluorophenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide
SMILESCCC(Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)c1ccc(F)cc1F
InChIInChI=1S/C16H15F5N2O2S/c1-2-14(11-5-3-9(17)7-13(11)18)23-10-4-6-15(26(22,24)25)12(8-10)16(19,20)21/h3-8,14,23H,2H2,1H3,(H2,22,24,25)
InChIKeyFJCAWUMBUWCSST-UHFFFAOYSA-N
MW394.37 g/mol
LogP4.19
Rot. Bonds5

About 4-[1-(2,4-difluorophenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide

4-[1-(2,4-difluorophenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 133340002) has the molecular formula C16H15F5N2O2S and a molecular weight of 394.37 g/mol. Its IUPAC name is 4-[1-(2,4-difluorophenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(2,4-difluorophenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID133340002
Molecular FormulaC16H15F5N2O2S
Molecular Weight394.37 g/mol
Exact Mass394.08
IUPAC Name4-[1-(2,4-difluorophenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide
SMILESCCC(Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)c1ccc(F)cc1F
InChIInChI=1S/C16H15F5N2O2S/c1-2-14(11-5-3-9(17)7-13(11)18)23-10-4-6-15(26(22,24)25)12(8-10)16(19,20)21/h3-8,14,23H,2H2,1H3,(H2,22,24,25)
InChIKeyFJCAWUMBUWCSST-UHFFFAOYSA-N
XLogP4.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-difluoroanilino)-2-(trifluoromethyl)benzenesulfonamide
CID 70908235
(2S)-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanoic acid
CID 122049439
4-(5,5-dimethylhexan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide
CID 133339931
4-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-(trifluoromethyl)benzenesulfonamide
CID 133339413
(1R)-1-(2,4-difluorophenyl)-N-(2,2,2-trifluoroethylsulfamoyl)propan-1-amine
CID 124628456
4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-2-(trifluoromethyl)benzenesulfonamide
CID 133340008
N-phenyl-2-[4-sulfamoyl-3-(trifluoromethyl)anilino]propanamide
CID 133339349
(S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylpropane-2-sulfinamide
CID 129130094
4-[1-(4-propan-2-ylsulfanylphenyl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide
CID 133329341
4-[2-(3-methylphenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide
CID 133340231
4-(3-morpholin-4-ylbutan-2-ylamino)-2-(trifluoromethyl)benzenesulfonamide
CID 133329434
2-amino-N-[1-(2,4-difluorophenyl)propyl]-2-methylpentanamide;hydrochloride
CID 119796320

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-difluorophenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[1-(2,4-difluorophenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide (CID 133340002) is 4-[1-(2,4-difluorophenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[1-(2,4-difluorophenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[1-(2,4-difluorophenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide is CCC(Nc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)c1ccc(F)cc1F.
What is the InChIKey of 4-[1-(2,4-difluorophenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FJCAWUMBUWCSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F5N2O2S/c1-2-14(11-5-3-9(17)7-13(11)18)23-10-4-6-15(26(22,24)25)12(8-10)16(19,20)21/h3-8,14,23H,2H2,1H3,(H2,22,24,25).
What are the key properties of 4-[1-(2,4-difluorophenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide?
4-[1-(2,4-difluorophenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 394.37 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-difluorophenyl)propylamino]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 133340002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).