2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one

C18H14ClNO4S2 — CID 4874842

IUPAC2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one
SMILESO=C(CN1C(=O)CSC1=CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H14ClNO4S2/c19-14-6-8-15(9-7-14)26(23,24)12-18-20(17(22)11-25-18)10-16(21)13-4-2-1-3-5-13/h1-9,12H,10-11H2
InChIKeyFKBVGVFEWYBOGG-UHFFFAOYSA-N
MW407.90 g/mol
LogP3.37
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one

2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one (PubChem CID 4874842) has the molecular formula C18H14ClNO4S2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one
PubChem CID4874842
Molecular FormulaC18H14ClNO4S2
Molecular Weight407.90 g/mol
Exact Mass407.01
IUPAC Name2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one
SMILESO=C(CN1C(=O)CSC1=CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H14ClNO4S2/c19-14-6-8-15(9-7-14)26(23,24)12-18-20(17(22)11-25-18)10-16(21)13-4-2-1-3-5-13/h1-9,12H,10-11H2
InChIKeyFKBVGVFEWYBOGG-UHFFFAOYSA-N
XLogP3.37
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one (CID 4874842) is 2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one is O=C(CN1C(=O)CSC1=CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one?
The InChIKey is FKBVGVFEWYBOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4S2/c19-14-6-8-15(9-7-14)26(23,24)12-18-20(17(22)11-25-18)10-16(21)13-4-2-1-3-5-13/h1-9,12H,10-11H2.
What are the key properties of 2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one?
2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one has a molecular weight of 407.90 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 4874842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).