(NE)-N-(3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide

C13H15FN2O3S2 — CID 6144902

IUPAC(NE)-N-(3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide
SMILESCCC1S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(CC)C1=O
InChIInChI=1S/C13H15FN2O3S2/c1-3-11-12(17)16(4-2)13(20-11)15-21(18,19)10-7-5-9(14)6-8-10/h5-8,11H,3-4H2,1-2H3/b15-13+
InChIKeyPCMNADZKATXNNI-FYWRMAATSA-N
MW330.41 g/mol
LogP2.24
Rot. Bonds4

About (NE)-N-(3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide

(NE)-N-(3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide (PubChem CID 6144902) has the molecular formula C13H15FN2O3S2 and a molecular weight of 330.41 g/mol. Its IUPAC name is (NE)-N-(3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-(3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide
PubChem CID6144902
Molecular FormulaC13H15FN2O3S2
Molecular Weight330.41 g/mol
Exact Mass330.05
IUPAC Name(NE)-N-(3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide
SMILESCCC1S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(CC)C1=O
InChIInChI=1S/C13H15FN2O3S2/c1-3-11-12(17)16(4-2)13(20-11)15-21(18,19)10-7-5-9(14)6-8-10/h5-8,11H,3-4H2,1-2H3/b15-13+
InChIKeyPCMNADZKATXNNI-FYWRMAATSA-N
XLogP2.24
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (NE)-N-(3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(1-Azabut-3-enylidene)-5-methyl-3-(phenylsulfonyl)-1,3-thiazolidin-4-one
CID 2998776
N-[(2Z)-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 9660718
N-[(2Z)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 9660877
2-Pyrrolidinone, 5-(ethylthio)-1-(phenylsulfonyl)-
CID 3078171
2-Pyrrolidinone, 5-(1-(methylethyl)thio)-1-(phenylsulfonyl)-
CID 3078172
N-[(2Z)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide
CID 6516792
[(E)-3-cyclohexyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylideneamino]-p-fluorophenyl(oxo)-lambda-sulfaniumolate
CID 3918664
3-(2-fluorophenyl)sulfonyl-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 53543560
N-cyclopropyl-3-(4-fluorophenyl)sulfonyl-N-methyl-1,3-thiazolidine-4-carboxamide
CID 53546217
1-[3-(4-Fluorophenyl)sulfonylpyrrolidin-1-yl]ethanone
CID 57393121
1-[3-(4-Fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one
CID 57396619
(E)-N-(3-cyclohexyl-4-oxothiazolidin-2-ylidene)benzenesulfonamide
CID 5640470

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide?
The IUPAC name of (NE)-N-(3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide (CID 6144902) is (NE)-N-(3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide.
What is the SMILES notation for (NE)-N-(3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide?
The canonical SMILES for (NE)-N-(3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide is CCC1S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(CC)C1=O.
What is the InChIKey of (NE)-N-(3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide?
The InChIKey is PCMNADZKATXNNI-FYWRMAATSA-N. The full InChI is InChI=1S/C13H15FN2O3S2/c1-3-11-12(17)16(4-2)13(20-11)15-21(18,19)10-7-5-9(14)6-8-10/h5-8,11H,3-4H2,1-2H3/b15-13+.
What are the key properties of (NE)-N-(3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide?
(NE)-N-(3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 6144902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).