4-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methoxyphenyl)benzenesulfonamide

C23H18N2O6S2 — CID 59039014

IUPAC4-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(/C=C4/SC(=O)NC4=O)cc3)cc2)cc1
InChIInChI=1S/C23H18N2O6S2/c1-30-17-8-4-16(5-9-17)25-33(28,29)20-12-10-19(11-13-20)31-18-6-2-15(3-7-18)14-21-22(26)24-23(27)32-21/h2-14,25H,1H3,(H,24,26,27)/b21-14+
InChIKeyFWKCFQQCVPUFSP-KGENOOAVSA-N
MW482.54 g/mol
LogP4.61
Rot. Bonds7

About 4-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methoxyphenyl)benzenesulfonamide

4-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 59039014) has the molecular formula C23H18N2O6S2 and a molecular weight of 482.54 g/mol. Its IUPAC name is 4-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID59039014
Molecular FormulaC23H18N2O6S2
Molecular Weight482.54 g/mol
Exact Mass482.06
IUPAC Name4-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(/C=C4/SC(=O)NC4=O)cc3)cc2)cc1
InChIInChI=1S/C23H18N2O6S2/c1-30-17-8-4-16(5-9-17)25-33(28,29)20-12-10-19(11-13-20)31-18-6-2-15(3-7-18)14-21-22(26)24-23(27)32-21/h2-14,25H,1H3,(H,24,26,27)/b21-14+
InChIKeyFWKCFQQCVPUFSP-KGENOOAVSA-N
XLogP4.61
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-4-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]benzenesulfonamide
CID 59039033
N-(1,3-dioxoisoindol-5-yl)-4-methoxybenzenesulfonamide
CID 1244571
(5E)-5-[(4-methoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 1365504
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
(E)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 2345488
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
2-cyclopentylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135540671
(5Z)-2-cyclopentylimino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135794870
(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135634856
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide
CID 112980023
4-methoxy-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 110724957
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methoxybenzenesulfonamide
CID 108783146

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methoxyphenyl)benzenesulfonamide (CID 59039014) is 4-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(/C=C4/SC(=O)NC4=O)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is FWKCFQQCVPUFSP-KGENOOAVSA-N. The full InChI is InChI=1S/C23H18N2O6S2/c1-30-17-8-4-16(5-9-17)25-33(28,29)20-12-10-19(11-13-20)31-18-6-2-15(3-7-18)14-21-22(26)24-23(27)32-21/h2-14,25H,1H3,(H,24,26,27)/b21-14+.
What are the key properties of 4-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methoxyphenyl)benzenesulfonamide?
4-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 482.54 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 59039014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).