2-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine

C16H16BrNO2S2 — CID 2858675

IUPAC2-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCc1ccc(S(=O)(=O)N2CCSC2c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNO2S2/c1-12-2-8-15(9-3-12)22(19,20)18-10-11-21-16(18)13-4-6-14(17)7-5-13/h2-9,16H,10-11H2,1H3
InChIKeyPSSJQTYNQDYVMA-UHFFFAOYSA-N
MW398.35 g/mol
LogP4.19
Rot. Bonds3

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

2-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 2858675) has the molecular formula C16H16BrNO2S2 and a molecular weight of 398.35 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
PubChem CID2858675
Molecular FormulaC16H16BrNO2S2
Molecular Weight398.35 g/mol
Exact Mass396.98
IUPAC Name2-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCc1ccc(S(=O)(=O)N2CCSC2c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNO2S2/c1-12-2-8-15(9-3-12)22(19,20)18-10-11-21-16(18)13-4-6-14(17)7-5-13/h2-9,16H,10-11H2,1H3
InChIKeyPSSJQTYNQDYVMA-UHFFFAOYSA-N
XLogP4.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.35
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine (CID 2858675) is 2-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine is Cc1ccc(S(=O)(=O)N2CCSC2c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is PSSJQTYNQDYVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2S2/c1-12-2-8-15(9-3-12)22(19,20)18-10-11-21-16(18)13-4-6-14(17)7-5-13/h2-9,16H,10-11H2,1H3.
What are the key properties of 2-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine?
2-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 398.35 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 2858675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).