[5-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate

C15H13Cl2NO6S — CID 90083637

IUPAC[5-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Oc1c(N2CCCS2(=O)=O)oc(-c2c(Cl)cccc2Cl)c1O
InChIInChI=1S/C15H13Cl2NO6S/c1-8(19)23-14-12(20)13(11-9(16)4-2-5-10(11)17)24-15(14)18-6-3-7-25(18,21)22/h2,4-5,20H,3,6-7H2,1H3
InChIKeyBRAFQFWNXSEAKL-UHFFFAOYSA-N
MW406.24 g/mol
LogP3.42
Rot. Bonds3

About [5-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate

[5-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate (PubChem CID 90083637) has the molecular formula C15H13Cl2NO6S and a molecular weight of 406.24 g/mol. Its IUPAC name is [5-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate.

Molecular Properties

Compound Name[5-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate
PubChem CID90083637
Molecular FormulaC15H13Cl2NO6S
Molecular Weight406.24 g/mol
Exact Mass404.98
IUPAC Name[5-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate
SMILESCC(=O)Oc1c(N2CCCS2(=O)=O)oc(-c2c(Cl)cccc2Cl)c1O
InChIInChI=1S/C15H13Cl2NO6S/c1-8(19)23-14-12(20)13(11-9(16)4-2-5-10(11)17)24-15(14)18-6-3-7-25(18,21)22/h2,4-5,20H,3,6-7H2,1H3
InChIKeyBRAFQFWNXSEAKL-UHFFFAOYSA-N
XLogP3.42
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate?
The IUPAC name of [5-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate (CID 90083637) is [5-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate.
What is the SMILES notation for [5-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate?
The canonical SMILES for [5-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate is CC(=O)Oc1c(N2CCCS2(=O)=O)oc(-c2c(Cl)cccc2Cl)c1O.
What is the InChIKey of [5-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate?
The InChIKey is BRAFQFWNXSEAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO6S/c1-8(19)23-14-12(20)13(11-9(16)4-2-5-10(11)17)24-15(14)18-6-3-7-25(18,21)22/h2,4-5,20H,3,6-7H2,1H3.
What are the key properties of [5-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate?
[5-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate has a molecular weight of 406.24 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,6-dichlorophenyl)-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-hydroxyfuran-3-yl] acetate is sourced from PubChem (CID 90083637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).