2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide

C17H18FNO2S — CID 166380566

IUPAC2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1c1ccc(CCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2S/c18-16-8-4-14(5-9-16)2-3-15-6-10-17(11-7-15)19-12-1-13-22(19,20)21/h4-11H,1-3,12-13H2
InChIKeyQTRXZFXKMCFQGZ-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.15
Rot. Bonds4

About 2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide

2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 166380566) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID166380566
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1c1ccc(CCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2S/c18-16-8-4-14(5-9-16)2-3-15-6-10-17(11-7-15)19-12-1-13-22(19,20)21/h4-11H,1-3,12-13H2
InChIKeyQTRXZFXKMCFQGZ-UHFFFAOYSA-N
XLogP3.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[2-(4-fluorophenyl)ethyl]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

Related Compounds

2-[4-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine
CID 82513963
3-[4-(1,1-dioxothiazinan-2-yl)phenyl]propanoic acid
CID 98039511
2-[2-(4-fluorophenyl)ethyl]thiazinane 1,1-dioxide
CID 82132335
4-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline;hydrochloride
CID 171150549
2-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetic acid
CID 82514494
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzamide
CID 17429239
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 51318715
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 30697494
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(4-fluorophenyl)-2-methylpropanamide
CID 110302299
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenylpropanamide
CID 7627477
4-(1,1-dioxothiazinan-2-yl)aniline
CID 16642506
2-[(4-fluorophenyl)methyl]thiazinane 1,1-dioxide
CID 82130195

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide (CID 166380566) is 2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1c1ccc(CCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is QTRXZFXKMCFQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c18-16-8-4-14(5-9-16)2-3-15-6-10-17(11-7-15)19-12-1-13-22(19,20)21/h4-11H,1-3,12-13H2.
What are the key properties of 2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide?
2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 319.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 166380566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).