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

C16H16BrNO2S2 — CID 4992774

IUPAC2-(4-bromophenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCc1cccc(S(=O)(=O)N2CCSC2c2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO2S2/c1-12-3-2-4-15(11-12)22(19,20)18-9-10-21-16(18)13-5-7-14(17)8-6-13/h2-8,11,16H,9-10H2,1H3
InChIKeySBCNEPJFOXTTTF-UHFFFAOYSA-N
MW398.35 g/mol
LogP4.19
Rot. Bonds3

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

2-(4-bromophenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 4992774) has the molecular formula C16H16BrNO2S2 and a molecular weight of 398.35 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
PubChem CID4992774
Molecular FormulaC16H16BrNO2S2
Molecular Weight398.35 g/mol
Exact Mass396.98
IUPAC Name2-(4-bromophenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCc1cccc(S(=O)(=O)N2CCSC2c2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO2S2/c1-12-3-2-4-15(11-12)22(19,20)18-9-10-21-16(18)13-5-7-14(17)8-6-13/h2-8,11,16H,9-10H2,1H3
InChIKeySBCNEPJFOXTTTF-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-(3-methylphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(4-bromophenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine (CID 4992774) is 2-(4-bromophenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(4-bromophenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(4-bromophenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine is Cc1cccc(S(=O)(=O)N2CCSC2c2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is SBCNEPJFOXTTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2S2/c1-12-3-2-4-15(11-12)22(19,20)18-9-10-21-16(18)13-5-7-14(17)8-6-13/h2-8,11,16H,9-10H2,1H3.
What are the key properties of 2-(4-bromophenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine?
2-(4-bromophenyl)-3-(3-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-(3-methylphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 4992774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).