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

C18H13Cl2NO4S2 — CID 4830735

IUPAC3-[2-(4-chlorophenyl)-2-oxoethyl]-2-[(4-chlorophenyl)sulfonylmethylidene]-1,3-thiazolidin-4-one
SMILESO=C(CN1C(=O)CSC1=CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl2NO4S2/c19-13-3-1-12(2-4-13)16(22)9-21-17(23)10-26-18(21)11-27(24,25)15-7-5-14(20)6-8-15/h1-8,11H,9-10H2
InChIKeyWRAIDZZTQXAMOD-UHFFFAOYSA-N
MW442.35 g/mol
LogP4.02
Rot. Bonds5

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

3-[2-(4-chlorophenyl)-2-oxoethyl]-2-[(4-chlorophenyl)sulfonylmethylidene]-1,3-thiazolidin-4-one (PubChem CID 4830735) has the molecular formula C18H13Cl2NO4S2 and a molecular weight of 442.35 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-[(4-chlorophenyl)sulfonylmethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-2-oxoethyl]-2-[(4-chlorophenyl)sulfonylmethylidene]-1,3-thiazolidin-4-one
PubChem CID4830735
Molecular FormulaC18H13Cl2NO4S2
Molecular Weight442.35 g/mol
Exact Mass440.97
IUPAC Name3-[2-(4-chlorophenyl)-2-oxoethyl]-2-[(4-chlorophenyl)sulfonylmethylidene]-1,3-thiazolidin-4-one
SMILESO=C(CN1C(=O)CSC1=CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl2NO4S2/c19-13-3-1-12(2-4-13)16(22)9-21-17(23)10-26-18(21)11-27(24,25)15-7-5-14(20)6-8-15/h1-8,11H,9-10H2
InChIKeyWRAIDZZTQXAMOD-UHFFFAOYSA-N
XLogP4.02
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Benzoylpiperidin-1-yl)-2-(4-chlorophenyl)sulfonylethanone
CID 2740765
2-[4-(Benzenesulfonyl)piperidin-1-yl]-1-(4-chlorophenyl)ethanone
CID 9864536
(2Z)-2-[(4-methylphenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one
CID 2091055
1-[(S)-3-(p-chlorophenylsulfonyl)-1-pyrrolidinyl]-5-phenyl-1,5-pentanedione
CID 97417179
(2Z)-3-[2-(4-bromophenyl)-2-oxoethyl]-2-[(4-chlorophenyl)sulfonylmethylidene]-1,3-thiazolidin-4-one
CID 2465958
(2Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-2-[(4-chlorophenyl)sulfonylmethylidene]-1,3-thiazolidin-4-one
CID 2476072
(2Z)-2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one
CID 2512927
(2Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylmethylidene]-1,3-thiazolidin-4-one
CID 16253103
(3-((4-Chlorophenyl)sulfonyl)pyrrolidin-1-yl)(2-fluorophenyl)methanone
CID 90587568
(3-((4-Chlorophenyl)sulfonyl)pyrrolidin-1-yl)(4-fluorophenyl)methanone
CID 90587569
(3-((4-Chlorophenyl)sulfonyl)pyrrolidin-1-yl)(3-fluorophenyl)methanone
CID 90587757
(2E)-2-[(4-chlorophenyl)sulfonylmethylidene]-3-phenacyl-1,3-thiazolidin-4-one
CID 2512923

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-[(4-chlorophenyl)sulfonylmethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-[(4-chlorophenyl)sulfonylmethylidene]-1,3-thiazolidin-4-one (CID 4830735) is 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-[(4-chlorophenyl)sulfonylmethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-[(4-chlorophenyl)sulfonylmethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-[(4-chlorophenyl)sulfonylmethylidene]-1,3-thiazolidin-4-one is O=C(CN1C(=O)CSC1=CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-[(4-chlorophenyl)sulfonylmethylidene]-1,3-thiazolidin-4-one?
The InChIKey is WRAIDZZTQXAMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO4S2/c19-13-3-1-12(2-4-13)16(22)9-21-17(23)10-26-18(21)11-27(24,25)15-7-5-14(20)6-8-15/h1-8,11H,9-10H2.
What are the key properties of 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-[(4-chlorophenyl)sulfonylmethylidene]-1,3-thiazolidin-4-one?
3-[2-(4-chlorophenyl)-2-oxoethyl]-2-[(4-chlorophenyl)sulfonylmethylidene]-1,3-thiazolidin-4-one has a molecular weight of 442.35 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-2-oxoethyl]-2-[(4-chlorophenyl)sulfonylmethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 4830735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).