2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide

C17H16ClF3N2O3S — CID 20850358

IUPAC2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1cccc(C(F)(F)F)c1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClF3N2O3S/c1-23(2)15(24)10-22-14-5-3-4-13(17(19,20)21)16(14)27(25,26)12-8-6-11(18)7-9-12/h3-9,22H,10H2,1-2H3
InChIKeyPXASBYOKPFZPPI-UHFFFAOYSA-N
MW420.84 g/mol
LogP3.69
Rot. Bonds5

About 2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide

2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide (PubChem CID 20850358) has the molecular formula C17H16ClF3N2O3S and a molecular weight of 420.84 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide
PubChem CID20850358
Molecular FormulaC17H16ClF3N2O3S
Molecular Weight420.84 g/mol
Exact Mass420.05
IUPAC Name2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1cccc(C(F)(F)F)c1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClF3N2O3S/c1-23(2)15(24)10-22-14-5-3-4-13(17(19,20)21)16(14)27(25,26)12-8-6-11(18)7-9-12/h3-9,22H,10H2,1-2H3
InChIKeyPXASBYOKPFZPPI-UHFFFAOYSA-N
XLogP3.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.84
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3,5-dichlorophenyl)acetamide
CID 20850362
2-[2-(4-chlorophenyl)sulfonylanilino]-N,N-dimethylacetamide
CID 20851212
2-[2-(4-fluorophenyl)sulfonylanilino]-N,N-dimethylacetamide
CID 20851233
2-[2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-2-ylacetamide
CID 22304717
2-[2-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 22304874
2-[5-amino-4-(4-chlorophenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 50790597
2-[2-chloro-5-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 28567503
2-(3-fluoro-2-nitroanilino)-N,N-dimethylacetamide
CID 60789586
2-[3-chloro-2-(4-chlorophenyl)sulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 22305203
2-(2-carbamothioyl-3-chloroanilino)-N,N-dimethylacetamide
CID 62502616
N,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304310
2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfanyl-N,N-dimethylacetamide
CID 67972274

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide (CID 20850358) is 2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide is CN(C)C(=O)CNc1cccc(C(F)(F)F)c1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide?
The InChIKey is PXASBYOKPFZPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O3S/c1-23(2)15(24)10-22-14-5-3-4-13(17(19,20)21)16(14)27(25,26)12-8-6-11(18)7-9-12/h3-9,22H,10H2,1-2H3.
What are the key properties of 2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide?
2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide has a molecular weight of 420.84 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide is sourced from PubChem (CID 20850358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).