N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylacetamide

C16H14Cl2FNO3S — CID 86992770

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylacetamide
SMILESCC(NC(=O)CS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2FNO3S/c1-10(14-7-2-11(17)8-15(14)18)20-16(21)9-24(22,23)13-5-3-12(19)4-6-13/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyYWVKYHVBJVOYKT-UHFFFAOYSA-N
MW390.26 g/mol
LogP3.78
Rot. Bonds5

About N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylacetamide

N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylacetamide (PubChem CID 86992770) has the molecular formula C16H14Cl2FNO3S and a molecular weight of 390.26 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylacetamide
PubChem CID86992770
Molecular FormulaC16H14Cl2FNO3S
Molecular Weight390.26 g/mol
Exact Mass389.01
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylacetamide
SMILESCC(NC(=O)CS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2FNO3S/c1-10(14-7-2-11(17)8-15(14)18)20-16(21)9-24(22,23)13-5-3-12(19)4-6-13/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyYWVKYHVBJVOYKT-UHFFFAOYSA-N
XLogP3.78
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfonyl-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 24559842
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253002
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8613267
2-(4-chlorophenyl)sulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 51276088
N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 24643135
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide
CID 7986626
4-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]butanamide
CID 119330269
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 9441444
N-[1-(2,4-difluorophenyl)ethyl]-2-propan-2-ylsulfonylacetamide
CID 87023939
2-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 94602272
4-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119330268

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylacetamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylacetamide (CID 86992770) is N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylacetamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylacetamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylacetamide is CC(NC(=O)CS(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylacetamide?
The InChIKey is YWVKYHVBJVOYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO3S/c1-10(14-7-2-11(17)8-15(14)18)20-16(21)9-24(22,23)13-5-3-12(19)4-6-13/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylacetamide?
N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylacetamide has a molecular weight of 390.26 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylacetamide is sourced from PubChem (CID 86992770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).