2-(4-chlorophenyl)sulfonyl-N-[1-(2,4-dichlorophenyl)ethyl]acetamide

C16H14Cl3NO3S — CID 24559842

IUPAC2-(4-chlorophenyl)sulfonyl-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl3NO3S/c1-10(14-7-4-12(18)8-15(14)19)20-16(21)9-24(22,23)13-5-2-11(17)3-6-13/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyJLJIYOXWWOMMBT-UHFFFAOYSA-N
MW406.72 g/mol
LogP4.30
Rot. Bonds5

About 2-(4-chlorophenyl)sulfonyl-N-[1-(2,4-dichlorophenyl)ethyl]acetamide

2-(4-chlorophenyl)sulfonyl-N-[1-(2,4-dichlorophenyl)ethyl]acetamide (PubChem CID 24559842) has the molecular formula C16H14Cl3NO3S and a molecular weight of 406.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-[1-(2,4-dichlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
PubChem CID24559842
Molecular FormulaC16H14Cl3NO3S
Molecular Weight406.72 g/mol
Exact Mass404.98
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl3NO3S/c1-10(14-7-4-12(18)8-15(14)19)20-16(21)9-24(22,23)13-5-2-11(17)3-6-13/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyJLJIYOXWWOMMBT-UHFFFAOYSA-N
XLogP4.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.72
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylacetamide
CID 86992770
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
2-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 51276088
2-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 94602272
(2R)-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-3-methylbutanoic acid
CID 119369259
N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 24643135
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 9441444
N-[1-(2,4-dichlorophenyl)ethyl]-2-propan-2-ylsulfonylpropanamide
CID 55965610
N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide
CID 97088982
N'-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-[(1R)-1-phenylethyl]butanediamide
CID 97088981
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide
CID 43328744

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[1-(2,4-dichlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[1-(2,4-dichlorophenyl)ethyl]acetamide (CID 24559842) is 2-(4-chlorophenyl)sulfonyl-N-[1-(2,4-dichlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-[1-(2,4-dichlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-[1-(2,4-dichlorophenyl)ethyl]acetamide is CC(NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-[1-(2,4-dichlorophenyl)ethyl]acetamide?
The InChIKey is JLJIYOXWWOMMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO3S/c1-10(14-7-4-12(18)8-15(14)19)20-16(21)9-24(22,23)13-5-2-11(17)3-6-13/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-[1-(2,4-dichlorophenyl)ethyl]acetamide?
2-(4-chlorophenyl)sulfonyl-N-[1-(2,4-dichlorophenyl)ethyl]acetamide has a molecular weight of 406.72 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-[1-(2,4-dichlorophenyl)ethyl]acetamide is sourced from PubChem (CID 24559842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).