(NE)-4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide

C10H10N2O3S2 — CID 135422665

IUPAC(NE)-4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2\NC(=O)CS2)cc1
InChIInChI=1S/C10H10N2O3S2/c1-7-2-4-8(5-3-7)17(14,15)12-10-11-9(13)6-16-10/h2-5H,6H2,1H3,(H,11,12,13)
InChIKeyXFYKTBKTAXHSAH-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.90
Rot. Bonds2

About (NE)-4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide

(NE)-4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide (PubChem CID 135422665) has the molecular formula C10H10N2O3S2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (NE)-4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide
PubChem CID135422665
Molecular FormulaC10H10N2O3S2
Molecular Weight270.33 g/mol
Exact Mass270.01
IUPAC Name(NE)-4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2\NC(=O)CS2)cc1
InChIInChI=1S/C10H10N2O3S2/c1-7-2-4-8(5-3-7)17(14,15)12-10-11-9(13)6-16-10/h2-5H,6H2,1H3,(H,11,12,13)
InChIKeyXFYKTBKTAXHSAH-UHFFFAOYSA-N
XLogP0.90
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (NE)-4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide 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 (NE)-4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
The IUPAC name of (NE)-4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide (CID 135422665) is (NE)-4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide.
What is the SMILES notation for (NE)-4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
The canonical SMILES for (NE)-4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C2\NC(=O)CS2)cc1.
What is the InChIKey of (NE)-4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
The InChIKey is XFYKTBKTAXHSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S2/c1-7-2-4-8(5-3-7)17(14,15)12-10-11-9(13)6-16-10/h2-5H,6H2,1H3,(H,11,12,13).
What are the key properties of (NE)-4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide?
(NE)-4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide has a molecular weight of 270.33 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-methyl-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 135422665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).