2-(2,6-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

C13H15Cl2NO3S — CID 4883449

IUPAC2-(2,6-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)Cc2c(Cl)cccc2Cl)CCS(=O)(=O)C1
InChIInChI=1S/C13H15Cl2NO3S/c1-13(5-6-20(18,19)8-13)16-12(17)7-9-10(14)3-2-4-11(9)15/h2-4H,5-8H2,1H3,(H,16,17)
InChIKeyRFWBHOSSSGIPFB-UHFFFAOYSA-N
MW336.24 g/mol
LogP2.23
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

2-(2,6-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 4883449) has the molecular formula C13H15Cl2NO3S and a molecular weight of 336.24 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
PubChem CID4883449
Molecular FormulaC13H15Cl2NO3S
Molecular Weight336.24 g/mol
Exact Mass335.01
IUPAC Name2-(2,6-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)Cc2c(Cl)cccc2Cl)CCS(=O)(=O)C1
InChIInChI=1S/C13H15Cl2NO3S/c1-13(5-6-20(18,19)8-13)16-12(17)7-9-10(14)3-2-4-11(9)15/h2-4H,5-8H2,1H3,(H,16,17)
InChIKeyRFWBHOSSSGIPFB-UHFFFAOYSA-N
XLogP2.23
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 4791671
2-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
CID 6459138
2-(3,4-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 4876743
2-(2-chloro-6-fluorophenyl)-N-((1,1-dioxidotetrahydrothiophen-3-yl)methyl)acetamide
CID 47156886
2,6-dichloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 2798386
1-[(S)-3-(tert-butylsulfonyl)-1-pyrrolidinyl]-3-(2,6-dichlorophenyl)-1-propanone
CID 97427249
2-(2-chloro-6-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18109658
2-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 45855008
N-tert-butyl-2-(2,6-dichlorophenyl)acetamide
CID 4493941
2-(2-chloro-6-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7986709
2-(2-chloro-6-fluorophenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7986710
N-(4-chloro-1,1-dioxidotetrahydrothiophen-3-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 17592273

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (CID 4883449) is 2-(2,6-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is CC1(NC(=O)Cc2c(Cl)cccc2Cl)CCS(=O)(=O)C1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is RFWBHOSSSGIPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3S/c1-13(5-6-20(18,19)8-13)16-12(17)7-9-10(14)3-2-4-11(9)15/h2-4H,5-8H2,1H3,(H,16,17).
What are the key properties of 2-(2,6-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
2-(2,6-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 336.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 4883449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).