2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide

C18H20FNO2S — CID 167219032

IUPAC2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)c1cc(F)cc(-c2ccc(N3CCCS3(=O)=O)cc2)c1
InChIInChI=1S/C18H20FNO2S/c1-13(2)15-10-16(12-17(19)11-15)14-4-6-18(7-5-14)20-8-3-9-23(20,21)22/h4-7,10-13H,3,8-9H2,1-2H3
InChIKeyOUVIFQIXJQOGGC-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.16
Rot. Bonds3

About 2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide

2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 167219032) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID167219032
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)c1cc(F)cc(-c2ccc(N3CCCS3(=O)=O)cc2)c1
InChIInChI=1S/C18H20FNO2S/c1-13(2)15-10-16(12-17(19)11-15)14-4-6-18(7-5-14)20-8-3-9-23(20,21)22/h4-7,10-13H,3,8-9H2,1-2H3
InChIKeyOUVIFQIXJQOGGC-UHFFFAOYSA-N
XLogP4.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide 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 2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide (CID 167219032) is 2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide is CC(C)c1cc(F)cc(-c2ccc(N3CCCS3(=O)=O)cc2)c1.
What is the InChIKey of 2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is OUVIFQIXJQOGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-13(2)15-10-16(12-17(19)11-15)14-4-6-18(7-5-14)20-8-3-9-23(20,21)22/h4-7,10-13H,3,8-9H2,1-2H3.
What are the key properties of 2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide?
2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 333.43 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-5-propan-2-ylphenyl)phenyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 167219032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).