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

C18H20FNO5S2 — CID 1081489

IUPAC(2S)-3-(4-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1cc(OC)c([C@@H]2SCCN2S(=O)(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H20FNO5S2/c1-23-15-11-17(25-3)16(24-2)10-14(15)18-20(8-9-26-18)27(21,22)13-6-4-12(19)5-7-13/h4-7,10-11,18H,8-9H2,1-3H3/t18-/m0/s1
InChIKeyRCOZRIBJJQRJQM-SFHVURJKSA-N
MW413.49 g/mol
LogP3.29
Rot. Bonds6

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

(2S)-3-(4-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (PubChem CID 1081489) has the molecular formula C18H20FNO5S2 and a molecular weight of 413.49 g/mol. Its IUPAC name is (2S)-3-(4-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name(2S)-3-(4-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
PubChem CID1081489
Molecular FormulaC18H20FNO5S2
Molecular Weight413.49 g/mol
Exact Mass413.08
IUPAC Name(2S)-3-(4-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1cc(OC)c([C@@H]2SCCN2S(=O)(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H20FNO5S2/c1-23-15-11-17(25-3)16(24-2)10-14(15)18-20(8-9-26-18)27(21,22)13-6-4-12(19)5-7-13/h4-7,10-11,18H,8-9H2,1-3H3/t18-/m0/s1
InChIKeyRCOZRIBJJQRJQM-SFHVURJKSA-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 (2S)-3-(4-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of (2S)-3-(4-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (CID 1081489) is (2S)-3-(4-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for (2S)-3-(4-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for (2S)-3-(4-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is COc1cc(OC)c([C@@H]2SCCN2S(=O)(=O)c2ccc(F)cc2)cc1OC.
What is the InChIKey of (2S)-3-(4-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The InChIKey is RCOZRIBJJQRJQM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20FNO5S2/c1-23-15-11-17(25-3)16(24-2)10-14(15)18-20(8-9-26-18)27(21,22)13-6-4-12(19)5-7-13/h4-7,10-11,18H,8-9H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-3-(4-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
(2S)-3-(4-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 (2S)-3-(4-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 1081489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).