3-(4-chlorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one

C9H8ClNO3S — CID 1475315

IUPAC3-(4-chlorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one
SMILESO=C1CS(=O)(=O)CN1c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClNO3S/c10-7-1-3-8(4-2-7)11-6-15(13,14)5-9(11)12/h1-4H,5-6H2
InChIKeyNXWDYCLIBYGMQF-UHFFFAOYSA-N
MW245.69 g/mol
LogP1.06
Rot. Bonds1

About 3-(4-chlorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one

3-(4-chlorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one (PubChem CID 1475315) has the molecular formula C9H8ClNO3S and a molecular weight of 245.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one
PubChem CID1475315
Molecular FormulaC9H8ClNO3S
Molecular Weight245.69 g/mol
Exact Mass244.99
IUPAC Name3-(4-chlorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one
SMILESO=C1CS(=O)(=O)CN1c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClNO3S/c10-7-1-3-8(4-2-7)11-6-15(13,14)5-9(11)12/h1-4H,5-6H2
InChIKeyNXWDYCLIBYGMQF-UHFFFAOYSA-N
XLogP1.06
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)piperidin-2-one
CID 53422142
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,1-dioxo-1,4-thiazinane-3,5-dione
CID 76685244
4-chloro-1-(4-chlorophenyl)pyrrolidin-2-one
CID 168689223
(3Z,5Z)-3,5-bis[(4-chlorophenyl)methylidene]-1,1-dioxothian-4-one
CID 124635641
1-(4-chlorophenyl)-3-methylideneazetidin-2-one
CID 125478534
(3aR,6aR)-3-(4-chlorophenyl)-1-(4-fluorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one
CID 1250976
1-(4-chlorophenyl)-3-ethylimidazolidine-2,4-dione
CID 60837616
4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 53433785
1-(4-chlorophenyl)-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 60837458
1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane
CID 177019108
4-(4-chlorophenyl)-4-azatetracyclo[5.3.1.02,6.08,10]undecane-3,5-dione
CID 3560766
1-(4-chlorophenyl)-3-propylimidazolidine-2,4-dione
CID 60837459

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one (CID 1475315) is 3-(4-chlorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one is O=C1CS(=O)(=O)CN1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one?
The InChIKey is NXWDYCLIBYGMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3S/c10-7-1-3-8(4-2-7)11-6-15(13,14)5-9(11)12/h1-4H,5-6H2.
What are the key properties of 3-(4-chlorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one?
3-(4-chlorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one has a molecular weight of 245.69 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one is sourced from PubChem (CID 1475315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).