(NZ)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide

C17H18N2O4S2 — CID 22837010

IUPAC(NZ)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1N1/C(=N/S(=O)(=O)c2ccc(C)cc2)SCC1O
InChIInChI=1S/C17H18N2O4S2/c1-12-7-9-13(10-8-12)25(21,22)18-17-19(16(20)11-24-17)14-5-3-4-6-15(14)23-2/h3-10,16,20H,11H2,1-2H3/b18-17-
InChIKeyNJCAWTCVEMXJBR-ZCXUNETKSA-N
MW378.48 g/mol
LogP2.62
Rot. Bonds4

About (NZ)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide

(NZ)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide (PubChem CID 22837010) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (NZ)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide
PubChem CID22837010
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC Name(NZ)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1N1/C(=N/S(=O)(=O)c2ccc(C)cc2)SCC1O
InChIInChI=1S/C17H18N2O4S2/c1-12-7-9-13(10-8-12)25(21,22)18-17-19(16(20)11-24-17)14-5-3-4-6-15(14)23-2/h3-10,16,20H,11H2,1-2H3/b18-17-
InChIKeyNJCAWTCVEMXJBR-ZCXUNETKSA-N
XLogP2.62
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 10785000
(3aS,6aS)-3-(2-methoxyphenyl)-1-(4-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
CID 7223339
4-methyl-N-(4-oxo-3-phenyl-1,3-thiazetidin-2-ylidene)benzenesulfonamide
CID 5257741
5-(hydroxymethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 90463062
2-iodo-4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrole
CID 141137039
(NZ)-N-(1,3-dimethyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide
CID 134907065
4-fluoro-N-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 2140708
N-(5-methoxy-1-methyl-3H-indol-2-ylidene)-4-methylbenzenesulfonamide
CID 156768059
N,N'-bis[(2-methoxyphenyl)-(4-methylphenyl)-oxo-λ6-sulfanylidene]oxamide
CID 11365205
2-[3-cyclohexyl-2-(4-methylphenyl)sulfonylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 3248625
(NE)-N-[3-(4-methoxyphenyl)-4,6-diphenyl-4H-1,3-oxazin-2-ylidene]-4-methylbenzenesulfonamide
CID 135068633
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 2884049

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide (CID 22837010) is (NZ)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide is COc1ccccc1N1/C(=N/S(=O)(=O)c2ccc(C)cc2)SCC1O.
What is the InChIKey of (NZ)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide?
The InChIKey is NJCAWTCVEMXJBR-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-12-7-9-13(10-8-12)25(21,22)18-17-19(16(20)11-24-17)14-5-3-4-6-15(14)23-2/h3-10,16,20H,11H2,1-2H3/b18-17-.
What are the key properties of (NZ)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide?
(NZ)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide has a molecular weight of 378.48 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 22837010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).