(NZ)-N-[(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-(trifluoromethyl)benzenesulfonamide

C17H13F3N2O4S2 — CID 135950151

IUPAC(NZ)-N-[(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-(trifluoromethyl)benzenesulfonamide
SMILESCCc1ccc(/C=C2\S/C(=N\S(=O)(=O)c3ccc(C(F)(F)F)cc3)NC2=O)o1
InChIInChI=1S/C17H13F3N2O4S2/c1-2-11-5-6-12(26-11)9-14-15(23)21-16(27-14)22-28(24,25)13-7-3-10(4-8-13)17(18,19)20/h3-9H,2H2,1H3,(H,21,22,23)/b14-9-
InChIKeyMTWUNQMNRBWCCI-ZROIWOOFSA-N
MW430.43 g/mol
LogP3.81
Rot. Bonds4

About (NZ)-N-[(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-(trifluoromethyl)benzenesulfonamide

(NZ)-N-[(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 135950151) has the molecular formula C17H13F3N2O4S2 and a molecular weight of 430.43 g/mol. Its IUPAC name is (NZ)-N-[(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID135950151
Molecular FormulaC17H13F3N2O4S2
Molecular Weight430.43 g/mol
Exact Mass430.03
IUPAC Name(NZ)-N-[(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-(trifluoromethyl)benzenesulfonamide
SMILESCCc1ccc(/C=C2\S/C(=N\S(=O)(=O)c3ccc(C(F)(F)F)cc3)NC2=O)o1
InChIInChI=1S/C17H13F3N2O4S2/c1-2-11-5-6-12(26-11)9-14-15(23)21-16(27-14)22-28(24,25)13-7-3-10(4-8-13)17(18,19)20/h3-9H,2H2,1H3,(H,21,22,23)/b14-9-
InChIKeyMTWUNQMNRBWCCI-ZROIWOOFSA-N
XLogP3.81
TPSA88.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (NZ)-N-[(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-(trifluoromethyl)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 (NZ)-N-[(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of (NZ)-N-[(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-(trifluoromethyl)benzenesulfonamide (CID 135950151) is (NZ)-N-[(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for (NZ)-N-[(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for (NZ)-N-[(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-(trifluoromethyl)benzenesulfonamide is CCc1ccc(/C=C2\S/C(=N\S(=O)(=O)c3ccc(C(F)(F)F)cc3)NC2=O)o1.
What is the InChIKey of (NZ)-N-[(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MTWUNQMNRBWCCI-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H13F3N2O4S2/c1-2-11-5-6-12(26-11)9-14-15(23)21-16(27-14)22-28(24,25)13-7-3-10(4-8-13)17(18,19)20/h3-9H,2H2,1H3,(H,21,22,23)/b14-9-.
What are the key properties of (NZ)-N-[(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-(trifluoromethyl)benzenesulfonamide?
(NZ)-N-[(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 430.43 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(5Z)-5-[(5-ethylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 135950151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).