2-[2-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide

C22H17F3N2O5S — CID 22304874

IUPAC2-[2-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C22H17F3N2O5S/c23-22(24,25)16-7-4-8-17(21(16)33(29,30)15-5-2-1-3-6-15)26-12-20(28)27-14-9-10-18-19(11-14)32-13-31-18/h1-11,26H,12-13H2,(H,27,28)
InChIKeyLJVFXWZMOAGRDQ-UHFFFAOYSA-N
MW478.45 g/mol
LogP4.32
Rot. Bonds6

About 2-[2-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide

2-[2-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 22304874) has the molecular formula C22H17F3N2O5S and a molecular weight of 478.45 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID22304874
Molecular FormulaC22H17F3N2O5S
Molecular Weight478.45 g/mol
Exact Mass478.08
IUPAC Name2-[2-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C22H17F3N2O5S/c23-22(24,25)16-7-4-8-17(21(16)33(29,30)15-5-2-1-3-6-15)26-12-20(28)27-14-9-10-18-19(11-14)32-13-31-18/h1-11,26H,12-13H2,(H,27,28)
InChIKeyLJVFXWZMOAGRDQ-UHFFFAOYSA-N
XLogP4.32
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.45
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-2-ylacetamide
CID 22304717
2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3,5-dichlorophenyl)acetamide
CID 20850362
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-methylsulfonylanilino)acetamide
CID 22305328
N-(1,3-benzodioxol-5-yl)-2-(2-cyanoanilino)acetamide
CID 109010915
3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 110606353
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(trifluoromethyl)anilino]acetamide
CID 108998849
2-(3-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26417495
2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)acetamide
CID 109008524
N-(3-fluorophenyl)-2-[2-(trifluoromethyl)anilino]acetamide
CID 109009674
N-(1,3-benzodioxol-5-yl)-2-(4-phenoxyanilino)acetamide
CID 109010719
(2S)-N-(1,3-benzodioxol-5-yl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 27251961
N-(1,3-benzodioxol-5-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide
CID 110370513

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[2-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide (CID 22304874) is 2-[2-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[2-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[2-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide is O=C(CNc1cccc(C(F)(F)F)c1S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[2-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is LJVFXWZMOAGRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O5S/c23-22(24,25)16-7-4-8-17(21(16)33(29,30)15-5-2-1-3-6-15)26-12-20(28)27-14-9-10-18-19(11-14)32-13-31-18/h1-11,26H,12-13H2,(H,27,28).
What are the key properties of 2-[2-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide?
2-[2-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 478.45 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 22304874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).