2-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine

C17H18FNO4S2 — CID 3144174

IUPAC2-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(OC)c(C2SCCN2S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO4S2/c1-22-13-5-8-16(23-2)15(11-13)17-19(9-10-24-17)25(20,21)14-6-3-12(18)4-7-14/h3-8,11,17H,9-10H2,1-2H3
InChIKeyKKWZLZUMGCDZTH-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.28
Rot. Bonds5

About 2-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine

2-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine (PubChem CID 3144174) has the molecular formula C17H18FNO4S2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine
PubChem CID3144174
Molecular FormulaC17H18FNO4S2
Molecular Weight383.47 g/mol
Exact Mass383.07
IUPAC Name2-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(OC)c(C2SCCN2S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNO4S2/c1-22-13-5-8-16(23-2)15(11-13)17-19(9-10-24-17)25(20,21)14-6-3-12(18)4-7-14/h3-8,11,17H,9-10H2,1-2H3
InChIKeyKKWZLZUMGCDZTH-UHFFFAOYSA-N
XLogP3.28
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-Dimethoxy-phenyl)-3-(4-fluoro-benzenesulfonyl)-thiazolidine
CID 656153
1-(Benzenesulfonyl)-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 1122528
2-(2,5-Dimethoxyphenyl)-3-(methylsulfonyl)-1,3-thiazolidine
CID 3151547
2-(2-Methoxy-phenyl)-3-(3-trifluoromethyl-benzenesulfonyl)-thiazolidine
CID 646735
3-Benzenesulfonyl-2-(3,4-dimethoxy-phenyl)-thiazolidine
CID 652980
2-(4-Methoxyphenyl)-1,3-thiazolan-3-yl phenyl sulfone
CID 2859306
2-(2,5-Dimethoxyphenyl)-3-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,3-thiazolidine
CID 3236242
3-(Benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine
CID 4174260
3-(4-Fluoro-benzenesulfonyl)-2-(2,4,5-trimethoxy-phenyl)-thiazolidine
CID 655645
2-(2-Methoxyphenyl)-3-methylsulfonyl-1,3-thiazolidine
CID 664712
3-(4-Methoxy-benzenesulfonyl)-2-phenyl-thiazolidine
CID 648993
2-(3,4-Dimethoxy-phenyl)-3-(4-methoxy-benzenesulfonyl)-thiazolidine
CID 649048

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine (CID 3144174) is 2-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine is COc1ccc(OC)c(C2SCCN2S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is KKWZLZUMGCDZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4S2/c1-22-13-5-8-16(23-2)15(11-13)17-19(9-10-24-17)25(20,21)14-6-3-12(18)4-7-14/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine?
2-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 383.47 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 3144174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).