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

C18H19F2NO5S2 — CID 122330684

IUPAC3-(2,4-difluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1cc(OC)c(C2SCCN2S(=O)(=O)c2ccc(F)cc2F)cc1OC
InChIInChI=1S/C18H19F2NO5S2/c1-24-14-10-16(26-3)15(25-2)9-12(14)18-21(6-7-27-18)28(22,23)17-5-4-11(19)8-13(17)20/h4-5,8-10,18H,6-7H2,1-3H3
InChIKeyNNJNPQPHPXNXFO-UHFFFAOYSA-N
MW431.48 g/mol
LogP3.43
Rot. Bonds6

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

3-(2,4-difluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (PubChem CID 122330684) has the molecular formula C18H19F2NO5S2 and a molecular weight of 431.48 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
PubChem CID122330684
Molecular FormulaC18H19F2NO5S2
Molecular Weight431.48 g/mol
Exact Mass431.07
IUPAC Name3-(2,4-difluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1cc(OC)c(C2SCCN2S(=O)(=O)c2ccc(F)cc2F)cc1OC
InChIInChI=1S/C18H19F2NO5S2/c1-24-14-10-16(26-3)15(25-2)9-12(14)18-21(6-7-27-18)28(22,23)17-5-4-11(19)8-13(17)20/h4-5,8-10,18H,6-7H2,1-3H3
InChIKeyNNJNPQPHPXNXFO-UHFFFAOYSA-N
XLogP3.43
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(2,4-difluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (CID 122330684) is 3-(2,4-difluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is COc1cc(OC)c(C2SCCN2S(=O)(=O)c2ccc(F)cc2F)cc1OC.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The InChIKey is NNJNPQPHPXNXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO5S2/c1-24-14-10-16(26-3)15(25-2)9-12(14)18-21(6-7-27-18)28(22,23)17-5-4-11(19)8-13(17)20/h4-5,8-10,18H,6-7H2,1-3H3.
What are the key properties of 3-(2,4-difluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
3-(2,4-difluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine has a molecular weight of 431.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 122330684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).