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

C17H18BrNO4S2 — CID 3355422

IUPAC3-(4-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccc(OC)c(C2SCCN2S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H18BrNO4S2/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
InChIKeyIIOIMNAYEYRBAO-UHFFFAOYSA-N
MW444.37 g/mol
LogP3.90
Rot. Bonds5

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

3-(4-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine (PubChem CID 3355422) has the molecular formula C17H18BrNO4S2 and a molecular weight of 444.37 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
PubChem CID3355422
Molecular FormulaC17H18BrNO4S2
Molecular Weight444.37 g/mol
Exact Mass442.99
IUPAC Name3-(4-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccc(OC)c(C2SCCN2S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H18BrNO4S2/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
InChIKeyIIOIMNAYEYRBAO-UHFFFAOYSA-N
XLogP3.90
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine (CID 3355422) is 3-(4-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine is COc1ccc(OC)c(C2SCCN2S(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine?
The InChIKey is IIOIMNAYEYRBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO4S2/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 3-(4-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine?
3-(4-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine has a molecular weight of 444.37 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 3355422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).