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

C18H20FNO5S2 — CID 122330679

IUPAC3-(3-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1cc(OC)c(C2SCCN2S(=O)(=O)c2cccc(F)c2)cc1OC
InChIInChI=1S/C18H20FNO5S2/c1-23-15-11-17(25-3)16(24-2)10-14(15)18-20(7-8-26-18)27(21,22)13-6-4-5-12(19)9-13/h4-6,9-11,18H,7-8H2,1-3H3
InChIKeyYSIYITSUVHEEIU-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.29
Rot. Bonds6

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

3-(3-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (PubChem CID 122330679) has the molecular formula C18H20FNO5S2 and a molecular weight of 413.49 g/mol. Its IUPAC name is 3-(3-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(3-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
PubChem CID122330679
Molecular FormulaC18H20FNO5S2
Molecular Weight413.49 g/mol
Exact Mass413.08
IUPAC Name3-(3-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1cc(OC)c(C2SCCN2S(=O)(=O)c2cccc(F)c2)cc1OC
InChIInChI=1S/C18H20FNO5S2/c1-23-15-11-17(25-3)16(24-2)10-14(15)18-20(7-8-26-18)27(21,22)13-6-4-5-12(19)9-13/h4-6,9-11,18H,7-8H2,1-3H3
InChIKeyYSIYITSUVHEEIU-UHFFFAOYSA-N
XLogP3.29
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-Dimethoxy-phenyl)-3-(4-fluoro-benzenesulfonyl)-thiazolidine
CID 656153
3-Benzenesulfonyl-2-(3,4-dimethoxy-phenyl)-thiazolidine
CID 652980
2-(2,5-Dimethoxyphenyl)-3-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,3-thiazolidine
CID 3236242
3-(4-Fluoro-benzenesulfonyl)-2-(2,4,5-trimethoxy-phenyl)-thiazolidine
CID 655645
1-(Phenylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine
CID 1122390
2-(3,4-Dimethoxy-phenyl)-3-(4-methoxy-benzenesulfonyl)-thiazolidine
CID 649048
1-[(4-Fluorophenyl)sulfonyl]-4-(3,4,5-trimethoxybenzyl)piperazine
CID 654398
2-(2,5-Dimethoxyphenyl)-3-(4-fluorobenzenesulfonyl)-1,3-thiazolidine
CID 3144174
1-[(3,4-Difluorophenyl)sulfonyl]-4-(2,3,4-trimethoxybenzyl)piperazine
CID 4276398
2-(3,4-Dimethoxyphenyl)-3-((4-ethoxyphenyl)sulfonyl)thiazolidine
CID 2858241
3-[(4-Methoxyphenyl)sulfonyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 2876677
2-(2,5-Dimethoxyphenyl)-3-((4-methoxyphenyl)sulfonyl)thiazolidine
CID 3144176

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(3-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (CID 122330679) is 3-(3-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(3-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(3-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is COc1cc(OC)c(C2SCCN2S(=O)(=O)c2cccc(F)c2)cc1OC.
What is the InChIKey of 3-(3-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The InChIKey is YSIYITSUVHEEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO5S2/c1-23-15-11-17(25-3)16(24-2)10-14(15)18-20(7-8-26-18)27(21,22)13-6-4-5-12(19)9-13/h4-6,9-11,18H,7-8H2,1-3H3.
What are the key properties of 3-(3-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
3-(3-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine has a molecular weight of 413.49 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 122330679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).