2-(3-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine

C15H13ClINO2S2 — CID 3580989

IUPAC2-(3-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine
SMILESO=S(=O)(c1ccc(I)cc1)N1CCSC1c1cccc(Cl)c1
InChIInChI=1S/C15H13ClINO2S2/c16-12-3-1-2-11(10-12)15-18(8-9-21-15)22(19,20)14-6-4-13(17)5-7-14/h1-7,10,15H,8-9H2
InChIKeyWNRCNCQQBRZYKS-UHFFFAOYSA-N
MW465.77 g/mol
LogP4.38
Rot. Bonds3

About 2-(3-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine

2-(3-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine (PubChem CID 3580989) has the molecular formula C15H13ClINO2S2 and a molecular weight of 465.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine
PubChem CID3580989
Molecular FormulaC15H13ClINO2S2
Molecular Weight465.77 g/mol
Exact Mass464.91
IUPAC Name2-(3-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine
SMILESO=S(=O)(c1ccc(I)cc1)N1CCSC1c1cccc(Cl)c1
InChIInChI=1S/C15H13ClINO2S2/c16-12-3-1-2-11(10-12)15-18(8-9-21-15)22(19,20)14-6-4-13(17)5-7-14/h1-7,10,15H,8-9H2
InChIKeyWNRCNCQQBRZYKS-UHFFFAOYSA-N
XLogP4.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.77
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(3-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine (CID 3580989) is 2-(3-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(3-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine is O=S(=O)(c1ccc(I)cc1)N1CCSC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is WNRCNCQQBRZYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClINO2S2/c16-12-3-1-2-11(10-12)15-18(8-9-21-15)22(19,20)14-6-4-13(17)5-7-14/h1-7,10,15H,8-9H2.
What are the key properties of 2-(3-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine?
2-(3-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 465.77 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 3580989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).