(NE)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]benzenesulfonamide

C16H16N2O4S2 — CID 10785000

IUPAC(NE)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESCOc1ccccc1N1/C(=N\S(=O)(=O)c2ccccc2)SCC1O
InChIInChI=1S/C16H16N2O4S2/c1-22-14-10-6-5-9-13(14)18-15(19)11-23-16(18)17-24(20,21)12-7-3-2-4-8-12/h2-10,15,19H,11H2,1H3/b17-16+
InChIKeyLWSKKBTXZFNRAD-WUKNDPDISA-N
MW364.45 g/mol
LogP2.31
Rot. Bonds4

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

(NE)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]benzenesulfonamide (PubChem CID 10785000) has the molecular formula C16H16N2O4S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (NE)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
PubChem CID10785000
Molecular FormulaC16H16N2O4S2
Molecular Weight364.45 g/mol
Exact Mass364.06
IUPAC Name(NE)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]benzenesulfonamide
SMILESCOc1ccccc1N1/C(=N\S(=O)(=O)c2ccccc2)SCC1O
InChIInChI=1S/C16H16N2O4S2/c1-22-14-10-6-5-9-13(14)18-15(19)11-23-16(18)17-24(20,21)12-7-3-2-4-8-12/h2-10,15,19H,11H2,1H3/b17-16+
InChIKeyLWSKKBTXZFNRAD-WUKNDPDISA-N
XLogP2.31
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.31
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

(NZ)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide
CID 22837010
5-(hydroxymethyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 90463062
4-fluoro-N-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 2140708
N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 51445558
1-[2-(benzenesulfonyl)ethyl]-4-(2-methoxyphenyl)piperazine
CID 31338508
(1S,6R)-7-(2-methoxyphenyl)-7-azabicyclo[4.1.0]hept-3-ene
CID 102285040
methyl 2-[(2Z)-2-(benzenesulfonylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetate
CID 16936981
(3aS,6aS)-3-(2-methoxyphenyl)-1-(4-methylphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
CID 7223339
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
CID 4750076
3-(2-methoxyphenyl)sulfonyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779714
N-[[(2R,3S,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]oxolan-2-yl]methyl]benzenesulfonamide
CID 162802704
2-(2-methoxyphenyl)-2-azabicyclo[2.2.1]hept-5-en-3-one
CID 102474362

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The IUPAC name of (NE)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]benzenesulfonamide (CID 10785000) is (NE)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]benzenesulfonamide.
What is the SMILES notation for (NE)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The canonical SMILES for (NE)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]benzenesulfonamide is COc1ccccc1N1/C(=N\S(=O)(=O)c2ccccc2)SCC1O.
What is the InChIKey of (NE)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
The InChIKey is LWSKKBTXZFNRAD-WUKNDPDISA-N. The full InChI is InChI=1S/C16H16N2O4S2/c1-22-14-10-6-5-9-13(14)18-15(19)11-23-16(18)17-24(20,21)12-7-3-2-4-8-12/h2-10,15,19H,11H2,1H3/b17-16+.
What are the key properties of (NE)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]benzenesulfonamide?
(NE)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]benzenesulfonamide has a molecular weight of 364.45 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[4-hydroxy-3-(2-methoxyphenyl)-1,3-thiazolidin-2-ylidene]benzenesulfonamide is sourced from PubChem (CID 10785000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).