N-[(5R)-3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide

C13H15FN2O3S2 — CID 2141666

IUPACN-[(5R)-3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide
SMILESCC[C@H]1SC(=NS(=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/t11-/m1/s1
InChIKeyPCMNADZKATXNNI-LLVKDONJSA-N
MW330.41 g/mol
LogP2.24
Rot. Bonds4

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

N-[(5R)-3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide (PubChem CID 2141666) has the molecular formula C13H15FN2O3S2 and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[(5R)-3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(5R)-3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide
PubChem CID2141666
Molecular FormulaC13H15FN2O3S2
Molecular Weight330.41 g/mol
Exact Mass330.05
IUPAC NameN-[(5R)-3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide
SMILESCC[C@H]1SC(=NS(=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/t11-/m1/s1
InChIKeyPCMNADZKATXNNI-LLVKDONJSA-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'}

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Related Compounds

2-[(5R)-2-(4-bromophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 51567041
2-[(2Z)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 6528950
2-[(5S)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 2141678
2-[(2E)-3-ethyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 6268666
N-[(5S)-3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 7343736
N-(4-fluorophenyl)-2-[(5S)-2-(4-fluorophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 51567016
2-[(5R)-2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 42497013
N-(4-chlorophenyl)-2-[(5R)-2-(4-fluorophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 51567015
2-[2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 4590729
2-[(2E)-2-(4-chlorophenyl)sulfonylimino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 6158377
2-[2-(4-fluorophenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-hexoxyphenyl)acetamide
CID 3928746
2-[(5R)-3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 51858935

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(5R)-3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide (CID 2141666) is N-[(5R)-3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(5R)-3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(5R)-3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide is CC[C@H]1SC(=NS(=O)(=O)c2ccc(F)cc2)N(CC)C1=O.
What is the InChIKey of N-[(5R)-3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide?
The InChIKey is PCMNADZKATXNNI-LLVKDONJSA-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/t11-/m1/s1.
What are the key properties of N-[(5R)-3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide?
N-[(5R)-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 N-[(5R)-3,5-diethyl-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2141666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).