2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylsulfonylphenyl)acetamide

C16H15Cl2NO3S2 — CID 86971491

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1cccc(NC(=O)CSc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H15Cl2NO3S2/c1-2-24(21,22)13-5-3-4-12(9-13)19-16(20)10-23-15-8-11(17)6-7-14(15)18/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyYPGGPYAHIQFRBZ-UHFFFAOYSA-N
MW404.34 g/mol
LogP4.52
Rot. Bonds6

About 2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylsulfonylphenyl)acetamide

2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylsulfonylphenyl)acetamide (PubChem CID 86971491) has the molecular formula C16H15Cl2NO3S2 and a molecular weight of 404.34 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylsulfonylphenyl)acetamide
PubChem CID86971491
Molecular FormulaC16H15Cl2NO3S2
Molecular Weight404.34 g/mol
Exact Mass402.99
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1cccc(NC(=O)CSc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H15Cl2NO3S2/c1-2-24(21,22)13-5-3-4-12(9-13)19-16(20)10-23-15-8-11(17)6-7-14(15)18/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyYPGGPYAHIQFRBZ-UHFFFAOYSA-N
XLogP4.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.34
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylphenyl)acetamide
CID 7935234
2-(2-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 7950472
2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 60552730
2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 2536490
N-[(3-acetamidophenyl)methyl]-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 55688771
2-(2,5-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9044613
2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42238824
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 79142033
2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 7870586
2-(4-amino-2-chlorophenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 43305569
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-ethylsulfonylphenyl)acetamide
CID 86972032
2-(3,4-dichlorophenyl)-N-(3-ethylsulfonylphenyl)-2-methylpropanamide
CID 86971477

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylsulfonylphenyl)acetamide (CID 86971491) is 2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1cccc(NC(=O)CSc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylsulfonylphenyl)acetamide?
The InChIKey is YPGGPYAHIQFRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3S2/c1-2-24(21,22)13-5-3-4-12(9-13)19-16(20)10-23-15-8-11(17)6-7-14(15)18/h3-9H,2,10H2,1H3,(H,19,20).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylsulfonylphenyl)acetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylsulfonylphenyl)acetamide has a molecular weight of 404.34 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 86971491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).