N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dichloro-4-methylsulfonylanilino)acetamide

C16H12Cl3F3N2O3S — CID 22307669

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dichloro-4-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)c1ccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(Cl)c1Cl
InChIInChI=1S/C16H12Cl3F3N2O3S/c1-28(26,27)12-5-4-10(14(18)15(12)19)23-7-13(25)24-11-6-8(16(20,21)22)2-3-9(11)17/h2-6,23H,7H2,1H3,(H,24,25)
InChIKeyBRQAHGUTKSLYHD-UHFFFAOYSA-N
MW475.70 g/mol
LogP5.12
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dichloro-4-methylsulfonylanilino)acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dichloro-4-methylsulfonylanilino)acetamide (PubChem CID 22307669) has the molecular formula C16H12Cl3F3N2O3S and a molecular weight of 475.70 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dichloro-4-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dichloro-4-methylsulfonylanilino)acetamide
PubChem CID22307669
Molecular FormulaC16H12Cl3F3N2O3S
Molecular Weight475.70 g/mol
Exact Mass473.96
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dichloro-4-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)c1ccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(Cl)c1Cl
InChIInChI=1S/C16H12Cl3F3N2O3S/c1-28(26,27)12-5-4-10(14(18)15(12)19)23-7-13(25)24-11-6-8(16(20,21)22)2-3-9(11)17/h2-6,23H,7H2,1H3,(H,24,25)
InChIKeyBRQAHGUTKSLYHD-UHFFFAOYSA-N
XLogP5.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.70
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dichloro-4-methylsulfonylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009526
2-[2-chloro-5-(trifluoromethyl)anilino]-N-(2,5-dimethylphenyl)acetamide
CID 109007403
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino]acetamide
CID 22307667
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147795
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 113000065
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
N-(3-acetylphenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 109009852
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethylphenyl)acetamide
CID 100630513
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 113000074
2-[acetyl(tert-butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113166205
2-[(4-chlorophenyl)methylamino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1286761
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113000084

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dichloro-4-methylsulfonylanilino)acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dichloro-4-methylsulfonylanilino)acetamide (CID 22307669) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dichloro-4-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dichloro-4-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dichloro-4-methylsulfonylanilino)acetamide is CS(=O)(=O)c1ccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(Cl)c1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dichloro-4-methylsulfonylanilino)acetamide?
The InChIKey is BRQAHGUTKSLYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3F3N2O3S/c1-28(26,27)12-5-4-10(14(18)15(12)19)23-7-13(25)24-11-6-8(16(20,21)22)2-3-9(11)17/h2-6,23H,7H2,1H3,(H,24,25).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dichloro-4-methylsulfonylanilino)acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dichloro-4-methylsulfonylanilino)acetamide has a molecular weight of 475.70 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,3-dichloro-4-methylsulfonylanilino)acetamide is sourced from PubChem (CID 22307669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).