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

C18H14ClNO4S2 — CID 2512923

IUPAC(2E)-2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one
SMILESO=C(CN1C(=O)CS/C1=C/S(=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/b18-12+
InChIKeyFKBVGVFEWYBOGG-LDADJPATSA-N
MW407.90 g/mol
LogP3.37
Rot. Bonds5

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

(2E)-2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one (PubChem CID 2512923) has the molecular formula C18H14ClNO4S2 and a molecular weight of 407.90 g/mol. Its IUPAC name is (2E)-2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one
PubChem CID2512923
Molecular FormulaC18H14ClNO4S2
Molecular Weight407.90 g/mol
Exact Mass407.01
IUPAC Name(2E)-2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one
SMILESO=C(CN1C(=O)CS/C1=C/S(=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/b18-12+
InChIKeyFKBVGVFEWYBOGG-LDADJPATSA-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 (2E)-2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one (CID 2512923) is (2E)-2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one is O=C(CN1C(=O)CS/C1=C/S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (2E)-2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one?
The InChIKey is FKBVGVFEWYBOGG-LDADJPATSA-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/b18-12+.
What are the key properties of (2E)-2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one?
(2E)-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 (2E)-2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2512923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).