[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate

C18H15Cl2F3N2O5S — CID 46621713

IUPAC[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
SMILESCC(OC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H15Cl2F3N2O5S/c1-10(17(27)25-15-5-3-2-4-12(15)18(21,22)23)30-16(26)9-24-31(28,29)11-6-7-13(19)14(20)8-11/h2-8,10,24H,9H2,1H3,(H,25,27)
InChIKeyMWASJSUBYLMVCN-UHFFFAOYSA-N
MW499.29 g/mol
LogP3.86
Rot. Bonds7

About [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate

[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate (PubChem CID 46621713) has the molecular formula C18H15Cl2F3N2O5S and a molecular weight of 499.29 g/mol. Its IUPAC name is [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
PubChem CID46621713
Molecular FormulaC18H15Cl2F3N2O5S
Molecular Weight499.29 g/mol
Exact Mass498.00
IUPAC Name[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
SMILESCC(OC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H15Cl2F3N2O5S/c1-10(17(27)25-15-5-3-2-4-12(15)18(21,22)23)30-16(26)9-24-31(28,29)11-6-7-13(19)14(20)8-11/h2-8,10,24H,9H2,1H3,(H,25,27)
InChIKeyMWASJSUBYLMVCN-UHFFFAOYSA-N
XLogP3.86
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.29
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 55324559
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)acetate
CID 18275205
(1-amino-1-oxopropan-2-yl) 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 46794901
2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 13052546
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 42969466
[(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)acetate
CID 8736140
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8925115
[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596522
[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 16502386
[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 46617225
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-thiophen-2-ylacetate
CID 55418017
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 46618612

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The IUPAC name of [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate (CID 46621713) is [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The canonical SMILES for [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate is CC(OC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
The InChIKey is MWASJSUBYLMVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2F3N2O5S/c1-10(17(27)25-15-5-3-2-4-12(15)18(21,22)23)30-16(26)9-24-31(28,29)11-6-7-13(19)14(20)8-11/h2-8,10,24H,9H2,1H3,(H,25,27).
What are the key properties of [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate?
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate has a molecular weight of 499.29 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 46621713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).