N-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide

C23H18Cl2F3NO3S — CID 71284005

IUPACN-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cc(Cl)ccc3Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H18Cl2F3NO3S/c1-2-33(31,32)17-7-3-14(4-8-17)11-22(30)29-16-6-9-18(20(13-16)23(26,27)28)19-12-15(24)5-10-21(19)25/h3-10,12-13H,2,11H2,1H3,(H,29,30)
InChIKeyLNJHRQWFMGQBNX-UHFFFAOYSA-N
MW516.37 g/mol
LogP6.65
Rot. Bonds6

About N-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide

N-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 71284005) has the molecular formula C23H18Cl2F3NO3S and a molecular weight of 516.37 g/mol. Its IUPAC name is N-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID71284005
Molecular FormulaC23H18Cl2F3NO3S
Molecular Weight516.37 g/mol
Exact Mass515.03
IUPAC NameN-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cc(Cl)ccc3Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H18Cl2F3NO3S/c1-2-33(31,32)17-7-3-14(4-8-17)11-22(30)29-16-6-9-18(20(13-16)23(26,27)28)19-12-15(24)5-10-21(19)25/h3-10,12-13H,2,11H2,1H3,(H,29,30)
InChIKeyLNJHRQWFMGQBNX-UHFFFAOYSA-N
XLogP6.65
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.37
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 122622702
N-[3-chloro-4-[4-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71286169
N-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 71285892
N-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 72544310
N-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 72545950
N-[4-chloro-3-(1-methylpyrazol-4-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71289968
2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide
CID 110778659
N-[3-chloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-[4-(cyclopropylmethylsulfonyl)phenyl]acetamide
CID 122627317
N-[3-benzoyl-5-(2,4-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71285899
2-[(4-chlorophenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126151161
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 18587054
N-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118456138

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide (CID 71284005) is N-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3cc(Cl)ccc3Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is LNJHRQWFMGQBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2F3NO3S/c1-2-33(31,32)17-7-3-14(4-8-17)11-22(30)29-16-6-9-18(20(13-16)23(26,27)28)19-12-15(24)5-10-21(19)25/h3-10,12-13H,2,11H2,1H3,(H,29,30).
What are the key properties of N-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 516.37 g/mol, XLogP of 6.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 71284005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).