3-(4-fluorophenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine

C22H20FNO3S2 — CID 4131446

IUPAC3-(4-fluorophenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCSC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H20FNO3S2/c23-19-8-12-21(13-9-19)29(25,26)24-14-15-28-22(24)18-6-10-20(11-7-18)27-16-17-4-2-1-3-5-17/h1-13,22H,14-16H2
InChIKeySYYXJMMEKPEVIS-UHFFFAOYSA-N
MW429.54 g/mol
LogP4.84
Rot. Bonds6

About 3-(4-fluorophenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine

3-(4-fluorophenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine (PubChem CID 4131446) has the molecular formula C22H20FNO3S2 and a molecular weight of 429.54 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine
PubChem CID4131446
Molecular FormulaC22H20FNO3S2
Molecular Weight429.54 g/mol
Exact Mass429.09
IUPAC Name3-(4-fluorophenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCSC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H20FNO3S2/c23-19-8-12-21(13-9-19)29(25,26)24-14-15-28-22(24)18-6-10-20(11-7-18)27-16-17-4-2-1-3-5-17/h1-13,22H,14-16H2
InChIKeySYYXJMMEKPEVIS-UHFFFAOYSA-N
XLogP4.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine (CID 4131446) is 3-(4-fluorophenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine is O=S(=O)(c1ccc(F)cc1)N1CCSC1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine?
The InChIKey is SYYXJMMEKPEVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO3S2/c23-19-8-12-21(13-9-19)29(25,26)24-14-15-28-22(24)18-6-10-20(11-7-18)27-16-17-4-2-1-3-5-17/h1-13,22H,14-16H2.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine?
3-(4-fluorophenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine has a molecular weight of 429.54 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 4131446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).