4-fluoro-N-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide

C16H13FN2O4S2 — CID 2140708

IUPAC4-fluoro-N-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESCOc1ccc(N2C(=O)CSC2=NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H13FN2O4S2/c1-23-13-6-4-12(5-7-13)19-15(20)10-24-16(19)18-25(21,22)14-8-2-11(17)3-9-14/h2-9H,10H2,1H3
InChIKeyREYUVCLRZOMDHU-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.66
Rot. Bonds4

About 4-fluoro-N-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide

4-fluoro-N-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide (PubChem CID 2140708) has the molecular formula C16H13FN2O4S2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 4-fluoro-N-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
PubChem CID2140708
Molecular FormulaC16H13FN2O4S2
Molecular Weight380.42 g/mol
Exact Mass380.03
IUPAC Name4-fluoro-N-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESCOc1ccc(N2C(=O)CSC2=NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H13FN2O4S2/c1-23-13-6-4-12(5-7-13)19-15(20)10-24-16(19)18-25(21,22)14-8-2-11(17)3-9-14/h2-9H,10H2,1H3
InChIKeyREYUVCLRZOMDHU-UHFFFAOYSA-N
XLogP2.66
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-4-fluorobenzenesulfonamide
CID 6073230
4-bromo-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide
CID 5175041
5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzamide
CID 11648456
(NE)-N-(5,5-dimethyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-4-fluorobenzenesulfonamide
CID 6035654
2-[(5-chloro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 172694877
(NZ)-4-[4-bromo-5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 52912271
2-[(5S)-3-cyclohexyl-2-(4-fluorophenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 51858939
4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 42804733
ethyl 2-[4-[(E)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]sulfonylphenyl]-4,5-dihydrobenzo[g]indazole-3-carboxylate
CID 10886310
(2Z)-3-(4-methoxyphenyl)-2-[(E)-1-[5-methyl-3-(4-methylphenyl)-2-sulfanylidene-1H-imidazol-4-yl]ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135515217
(2R)-4-(4-methoxyphenyl)-2-methylthiomorpholine-3,5-dione
CID 1483431
N-(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)-4-methoxybenzenesulfonamide
CID 810481

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide (CID 2140708) is 4-fluoro-N-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide is COc1ccc(N2C(=O)CSC2=NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The InChIKey is REYUVCLRZOMDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O4S2/c1-23-13-6-4-12(5-7-13)19-15(20)10-24-16(19)18-25(21,22)14-8-2-11(17)3-9-14/h2-9H,10H2,1H3.
What are the key properties of 4-fluoro-N-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
4-fluoro-N-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide has a molecular weight of 380.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide is sourced from PubChem (CID 2140708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).