2-(3,4-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

C13H15Cl2NO3S — CID 4876743

IUPAC2-(3,4-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)Cc2ccc(Cl)c(Cl)c2)CCS(=O)(=O)C1
InChIInChI=1S/C13H15Cl2NO3S/c1-13(4-5-20(18,19)8-13)16-12(17)7-9-2-3-10(14)11(15)6-9/h2-3,6H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyBUYRKLHNULTZIP-UHFFFAOYSA-N
MW336.24 g/mol
LogP2.23
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

2-(3,4-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 4876743) has the molecular formula C13H15Cl2NO3S and a molecular weight of 336.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
PubChem CID4876743
Molecular FormulaC13H15Cl2NO3S
Molecular Weight336.24 g/mol
Exact Mass335.01
IUPAC Name2-(3,4-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCC1(NC(=O)Cc2ccc(Cl)c(Cl)c2)CCS(=O)(=O)C1
InChIInChI=1S/C13H15Cl2NO3S/c1-13(4-5-20(18,19)8-13)16-12(17)7-9-2-3-10(14)11(15)6-9/h2-3,6H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyBUYRKLHNULTZIP-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
N-tert-butyl-2-(3,4-dichlorophenyl)acetamide
CID 2171626
2-(2,6-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 4883449
2-(3,4-dichlorophenyl)-N-methylsulfonylacetamide
CID 47269243
N-[1-(3,4-dichlorophenyl)cyclopropyl]-2-ethylsulfonylacetamide
CID 47461248
2-(3,4-dichlorophenyl)-N-methyl-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 53602056
1-[(3S)-3-tert-butylsulfonylpyrrolidin-1-yl]-3-(3,4-dichlorophenyl)propan-1-one
CID 97427251
2-[[2-(3,4-Dichlorophenyl)acetyl]amino]ethanesulfonyl fluoride
CID 142460598
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
1-[4-(Tert-butylsulfonylmethyl)piperidin-1-yl]-2-(3,4-dichlorophenyl)ethanone
CID 58143843

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (CID 4876743) is 2-(3,4-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is CC1(NC(=O)Cc2ccc(Cl)c(Cl)c2)CCS(=O)(=O)C1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is BUYRKLHNULTZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO3S/c1-13(4-5-20(18,19)8-13)16-12(17)7-9-2-3-10(14)11(15)6-9/h2-3,6H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
2-(3,4-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-(3,4-dichlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 4876743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).