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

C18H20FNO5S2 — CID 122330678

IUPAC3-(2-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1cc(OC)c(C2SCCN2S(=O)(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C18H20FNO5S2/c1-23-14-11-16(25-3)15(24-2)10-12(14)18-20(8-9-26-18)27(21,22)17-7-5-4-6-13(17)19/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyHWQZJPLMVKMJGQ-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.29
Rot. Bonds6

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

3-(2-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (PubChem CID 122330678) has the molecular formula C18H20FNO5S2 and a molecular weight of 413.49 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
PubChem CID122330678
Molecular FormulaC18H20FNO5S2
Molecular Weight413.49 g/mol
Exact Mass413.08
IUPAC Name3-(2-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1cc(OC)c(C2SCCN2S(=O)(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C18H20FNO5S2/c1-23-14-11-16(25-3)15(24-2)10-12(14)18-20(8-9-26-18)27(21,22)17-7-5-4-6-13(17)19/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyHWQZJPLMVKMJGQ-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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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(2-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (CID 122330678) is 3-(2-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(2-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(2-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is COc1cc(OC)c(C2SCCN2S(=O)(=O)c2ccccc2F)cc1OC.
What is the InChIKey of 3-(2-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The InChIKey is HWQZJPLMVKMJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO5S2/c1-23-14-11-16(25-3)15(24-2)10-12(14)18-20(8-9-26-18)27(21,22)17-7-5-4-6-13(17)19/h4-7,10-11,18H,8-9H2,1-3H3.
What are the key properties of 3-(2-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
3-(2-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-(2-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 122330678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).