1-(2-chlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone

C11H12ClNO3S — CID 62025819

IUPAC1-(2-chlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone
SMILESO=C(CN1CCCS1(=O)=O)c1ccccc1Cl
InChIInChI=1S/C11H12ClNO3S/c12-10-5-2-1-4-9(10)11(14)8-13-6-3-7-17(13,15)16/h1-2,4-5H,3,6-8H2
InChIKeyUDWAMTALJCVZOY-UHFFFAOYSA-N
MW273.74 g/mol
LogP1.56
Rot. Bonds3

About 1-(2-chlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone

1-(2-chlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone (PubChem CID 62025819) has the molecular formula C11H12ClNO3S and a molecular weight of 273.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone
PubChem CID62025819
Molecular FormulaC11H12ClNO3S
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Name1-(2-chlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone
SMILESO=C(CN1CCCS1(=O)=O)c1ccccc1Cl
InChIInChI=1S/C11H12ClNO3S/c12-10-5-2-1-4-9(10)11(14)8-13-6-3-7-17(13,15)16/h1-2,4-5H,3,6-8H2
InChIKeyUDWAMTALJCVZOY-UHFFFAOYSA-N
XLogP1.56
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropan-2-one
CID 62023614
N-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylacetamide
CID 164633077
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone;hydrochloride
CID 120738462
2-[(2,6-dichlorophenyl)methyl]thiazinane 1,1-dioxide
CID 134095007
2-[2-(2-chlorophenyl)ethyl]thiazinane 1,1-dioxide
CID 94698244
1-[2-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018810
1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(2-fluorophenyl)propan-2-one
CID 62023801
1-[2-(2-chlorophenyl)-2-oxoethyl]azepan-2-one
CID 62024083
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-phenylazepan-1-yl]ethanone
CID 99840592
1-(2-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)ethanone
CID 106670373
N-benzyl-2-(1,1-dioxothiazinan-2-yl)-N-propan-2-ylacetamide
CID 110687706
1-(2-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307846

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone (CID 62025819) is 1-(2-chlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone is O=C(CN1CCCS1(=O)=O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone?
The InChIKey is UDWAMTALJCVZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3S/c12-10-5-2-1-4-9(10)11(14)8-13-6-3-7-17(13,15)16/h1-2,4-5H,3,6-8H2.
What are the key properties of 1-(2-chlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone?
1-(2-chlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone has a molecular weight of 273.74 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone is sourced from PubChem (CID 62025819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).