2-(benzenesulfonylmethylidene)-1,3-thiazolidin-4-one

C10H9NO3S2 — CID 23906212

IUPAC2-(benzenesulfonylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1CSC(=CS(=O)(=O)c2ccccc2)N1
InChIInChI=1S/C10H9NO3S2/c12-9-6-15-10(11-9)7-16(13,14)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,12)
InChIKeyOQRIWAVOFACLDZ-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.12
Rot. Bonds2

About 2-(benzenesulfonylmethylidene)-1,3-thiazolidin-4-one

2-(benzenesulfonylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 23906212) has the molecular formula C10H9NO3S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(benzenesulfonylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(benzenesulfonylmethylidene)-1,3-thiazolidin-4-one
PubChem CID23906212
Molecular FormulaC10H9NO3S2
Molecular Weight255.32 g/mol
Exact Mass255.00
IUPAC Name2-(benzenesulfonylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1CSC(=CS(=O)(=O)c2ccccc2)N1
InChIInChI=1S/C10H9NO3S2/c12-9-6-15-10(11-9)7-16(13,14)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,12)
InChIKeyOQRIWAVOFACLDZ-UHFFFAOYSA-N
XLogP1.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(benzenesulfonylmethylidene)-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(benzenesulfonylmethylidene)-1,3-thiazolidin-4-one (CID 23906212) is 2-(benzenesulfonylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(benzenesulfonylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(benzenesulfonylmethylidene)-1,3-thiazolidin-4-one is O=C1CSC(=CS(=O)(=O)c2ccccc2)N1.
What is the InChIKey of 2-(benzenesulfonylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is OQRIWAVOFACLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S2/c12-9-6-15-10(11-9)7-16(13,14)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,12).
What are the key properties of 2-(benzenesulfonylmethylidene)-1,3-thiazolidin-4-one?
2-(benzenesulfonylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 255.32 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 23906212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).