2-(5-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine

C17H18BrNO4S2 — CID 3537446

IUPAC2-(5-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(S(=O)(=O)N2CCSC2c2cc(Br)ccc2OC)cc1
InChIInChI=1S/C17H18BrNO4S2/c1-22-13-4-6-14(7-5-13)25(20,21)19-9-10-24-17(19)15-11-12(18)3-8-16(15)23-2/h3-8,11,17H,9-10H2,1-2H3
InChIKeyHKYYCURCCMWZLR-UHFFFAOYSA-N
MW444.37 g/mol
LogP3.90
Rot. Bonds5

About 2-(5-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine

2-(5-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 3537446) has the molecular formula C17H18BrNO4S2 and a molecular weight of 444.37 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
PubChem CID3537446
Molecular FormulaC17H18BrNO4S2
Molecular Weight444.37 g/mol
Exact Mass442.99
IUPAC Name2-(5-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(S(=O)(=O)N2CCSC2c2cc(Br)ccc2OC)cc1
InChIInChI=1S/C17H18BrNO4S2/c1-22-13-4-6-14(7-5-13)25(20,21)19-9-10-24-17(19)15-11-12(18)3-8-16(15)23-2/h3-8,11,17H,9-10H2,1-2H3
InChIKeyHKYYCURCCMWZLR-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 2-(5-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine (CID 3537446) is 2-(5-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine is COc1ccc(S(=O)(=O)N2CCSC2c2cc(Br)ccc2OC)cc1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is HKYYCURCCMWZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO4S2/c1-22-13-4-6-14(7-5-13)25(20,21)19-9-10-24-17(19)15-11-12(18)3-8-16(15)23-2/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine?
2-(5-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-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 2-(5-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 3537446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).