3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine

C17H19NO2S2 — CID 3335512

IUPAC3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
SMILESCCc1ccc(S(=O)(=O)N2CCSC2c2ccccc2)cc1
InChIInChI=1S/C17H19NO2S2/c1-2-14-8-10-16(11-9-14)22(19,20)18-12-13-21-17(18)15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3
InChIKeyJJEZAAFHQYSZGV-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.69
Rot. Bonds4

About 3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine

3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine (PubChem CID 3335512) has the molecular formula C17H19NO2S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
PubChem CID3335512
Molecular FormulaC17H19NO2S2
Molecular Weight333.48 g/mol
Exact Mass333.09
IUPAC Name3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine
SMILESCCc1ccc(S(=O)(=O)N2CCSC2c2ccccc2)cc1
InChIInChI=1S/C17H19NO2S2/c1-2-14-8-10-16(11-9-14)22(19,20)18-12-13-21-17(18)15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3
InChIKeyJJEZAAFHQYSZGV-UHFFFAOYSA-N
XLogP3.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-ethylphenyl)sulfonyl-2-phenyl-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-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine?
The IUPAC name of 3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine (CID 3335512) is 3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine.
What is the SMILES notation for 3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine?
The canonical SMILES for 3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine is CCc1ccc(S(=O)(=O)N2CCSC2c2ccccc2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine?
The InChIKey is JJEZAAFHQYSZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S2/c1-2-14-8-10-16(11-9-14)22(19,20)18-12-13-21-17(18)15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3.
What are the key properties of 3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine?
3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine has a molecular weight of 333.48 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)sulfonyl-2-phenyl-1,3-thiazolidine is sourced from PubChem (CID 3335512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).