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

C17H18BrNO2S2 — CID 4114837

IUPAC2-(4-bromophenyl)-3-(4-ethylphenyl)sulfonyl-1,3-thiazolidine
SMILESCCc1ccc(S(=O)(=O)N2CCSC2c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO2S2/c1-2-13-3-9-16(10-4-13)23(20,21)19-11-12-22-17(19)14-5-7-15(18)8-6-14/h3-10,17H,2,11-12H2,1H3
InChIKeyWZOPALNBLZKEMP-UHFFFAOYSA-N
MW412.37 g/mol
LogP4.45
Rot. Bonds4

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

2-(4-bromophenyl)-3-(4-ethylphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 4114837) has the molecular formula C17H18BrNO2S2 and a molecular weight of 412.37 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(4-ethylphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(4-ethylphenyl)sulfonyl-1,3-thiazolidine
PubChem CID4114837
Molecular FormulaC17H18BrNO2S2
Molecular Weight412.37 g/mol
Exact Mass411.00
IUPAC Name2-(4-bromophenyl)-3-(4-ethylphenyl)sulfonyl-1,3-thiazolidine
SMILESCCc1ccc(S(=O)(=O)N2CCSC2c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H18BrNO2S2/c1-2-13-3-9-16(10-4-13)23(20,21)19-11-12-22-17(19)14-5-7-15(18)8-6-14/h3-10,17H,2,11-12H2,1H3
InChIKeyWZOPALNBLZKEMP-UHFFFAOYSA-N
XLogP4.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 54.45
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-ethylphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(4-bromophenyl)-3-(4-ethylphenyl)sulfonyl-1,3-thiazolidine (CID 4114837) is 2-(4-bromophenyl)-3-(4-ethylphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(4-bromophenyl)-3-(4-ethylphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(4-bromophenyl)-3-(4-ethylphenyl)sulfonyl-1,3-thiazolidine is CCc1ccc(S(=O)(=O)N2CCSC2c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(4-ethylphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is WZOPALNBLZKEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2S2/c1-2-13-3-9-16(10-4-13)23(20,21)19-11-12-22-17(19)14-5-7-15(18)8-6-14/h3-10,17H,2,11-12H2,1H3.
What are the key properties of 2-(4-bromophenyl)-3-(4-ethylphenyl)sulfonyl-1,3-thiazolidine?
2-(4-bromophenyl)-3-(4-ethylphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 412.37 g/mol, XLogP of 4.45, 4 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-ethylphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 4114837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).