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

C17H18BrNO3S2 — CID 2858723

IUPAC2-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(Br)cc1C1SCCN1S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C17H18BrNO3S2/c1-12-4-3-5-14(10-12)24(20,21)19-8-9-23-17(19)15-11-13(18)6-7-16(15)22-2/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyONSKPYHSULWDER-UHFFFAOYSA-N
MW428.37 g/mol
LogP4.20
Rot. Bonds4

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

2-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 2858723) has the molecular formula C17H18BrNO3S2 and a molecular weight of 428.37 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
PubChem CID2858723
Molecular FormulaC17H18BrNO3S2
Molecular Weight428.37 g/mol
Exact Mass426.99
IUPAC Name2-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(Br)cc1C1SCCN1S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C17H18BrNO3S2/c1-12-4-3-5-14(10-12)24(20,21)19-8-9-23-17(19)15-11-13(18)6-7-16(15)22-2/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyONSKPYHSULWDER-UHFFFAOYSA-N
XLogP4.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine (CID 2858723) is 2-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine is COc1ccc(Br)cc1C1SCCN1S(=O)(=O)c1cccc(C)c1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is ONSKPYHSULWDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3S2/c1-12-4-3-5-14(10-12)24(20,21)19-8-9-23-17(19)15-11-13(18)6-7-16(15)22-2/h3-7,10-11,17H,8-9H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine?
2-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 428.37 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 2858723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).