2-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide

C10H10N2O4S2 — CID 154445618

IUPAC2-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1CC1SC(=O)NC1=O
InChIInChI=1S/C10H10N2O4S2/c11-18(15,16)8-4-2-1-3-6(8)5-7-9(13)12-10(14)17-7/h1-4,7H,5H2,(H2,11,15,16)(H,12,13,14)
InChIKeyZVFRBKBDBYAFPY-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.23
Rot. Bonds3

About 2-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide

2-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide (PubChem CID 154445618) has the molecular formula C10H10N2O4S2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide
PubChem CID154445618
Molecular FormulaC10H10N2O4S2
Molecular Weight286.33 g/mol
Exact Mass286.01
IUPAC Name2-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1CC1SC(=O)NC1=O
InChIInChI=1S/C10H10N2O4S2/c11-18(15,16)8-4-2-1-3-6(8)5-7-9(13)12-10(14)17-7/h1-4,7H,5H2,(H2,11,15,16)(H,12,13,14)
InChIKeyZVFRBKBDBYAFPY-UHFFFAOYSA-N
XLogP0.23
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide (CID 154445618) is 2-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide is NS(=O)(=O)c1ccccc1CC1SC(=O)NC1=O.
What is the InChIKey of 2-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide?
The InChIKey is ZVFRBKBDBYAFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S2/c11-18(15,16)8-4-2-1-3-6(8)5-7-9(13)12-10(14)17-7/h1-4,7H,5H2,(H2,11,15,16)(H,12,13,14).
What are the key properties of 2-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide?
2-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide has a molecular weight of 286.33 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 154445618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).