3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid

C10H11NO4S — CID 15111449

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid
SMILESO=C(O)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C10H11NO4S/c12-10(13)8-3-1-4-9(7-8)11-5-2-6-16(11,14)15/h1,3-4,7H,2,5-6H2,(H,12,13)
InChIKeyULALUMQLLYCRCB-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.92
Rot. Bonds2

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid

3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid (PubChem CID 15111449) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid
PubChem CID15111449
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid
SMILESO=C(O)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C10H11NO4S/c12-10(13)8-3-1-4-9(7-8)11-5-2-6-16(11,14)15/h1,3-4,7H,2,5-6H2,(H,12,13)
InChIKeyULALUMQLLYCRCB-UHFFFAOYSA-N
XLogP0.92
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid (CID 15111449) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid is O=C(O)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid?
The InChIKey is ULALUMQLLYCRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c12-10(13)8-3-1-4-9(7-8)11-5-2-6-16(11,14)15/h1,3-4,7H,2,5-6H2,(H,12,13).
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid has a molecular weight of 241.27 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid is sourced from PubChem (CID 15111449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).