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

C16H16INO3S2 — CID 3562992

IUPAC3-(4-iodophenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccccc1C1SCCN1S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C16H16INO3S2/c1-21-15-5-3-2-4-14(15)16-18(10-11-22-16)23(19,20)13-8-6-12(17)7-9-13/h2-9,16H,10-11H2,1H3
InChIKeyAYCURNVAPGZQOK-UHFFFAOYSA-N
MW461.35 g/mol
LogP3.74
Rot. Bonds4

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

3-(4-iodophenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine (PubChem CID 3562992) has the molecular formula C16H16INO3S2 and a molecular weight of 461.35 g/mol. Its IUPAC name is 3-(4-iodophenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-iodophenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine
PubChem CID3562992
Molecular FormulaC16H16INO3S2
Molecular Weight461.35 g/mol
Exact Mass460.96
IUPAC Name3-(4-iodophenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccccc1C1SCCN1S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C16H16INO3S2/c1-21-15-5-3-2-4-14(15)16-18(10-11-22-16)23(19,20)13-8-6-12(17)7-9-13/h2-9,16H,10-11H2,1H3
InChIKeyAYCURNVAPGZQOK-UHFFFAOYSA-N
XLogP3.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(4-iodophenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine (CID 3562992) is 3-(4-iodophenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(4-iodophenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(4-iodophenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine is COc1ccccc1C1SCCN1S(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of 3-(4-iodophenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine?
The InChIKey is AYCURNVAPGZQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INO3S2/c1-21-15-5-3-2-4-14(15)16-18(10-11-22-16)23(19,20)13-8-6-12(17)7-9-13/h2-9,16H,10-11H2,1H3.
What are the key properties of 3-(4-iodophenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine?
3-(4-iodophenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine has a molecular weight of 461.35 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 3562992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).