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

C16H16BrNO3S2 — CID 3349762

IUPAC2-(4-bromophenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(S(=O)(=O)N2CCSC2c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNO3S2/c1-21-14-6-8-15(9-7-14)23(19,20)18-10-11-22-16(18)12-2-4-13(17)5-3-12/h2-9,16H,10-11H2,1H3
InChIKeyPQIJKLZNJKPHQA-UHFFFAOYSA-N
MW414.35 g/mol
LogP3.89
Rot. Bonds4

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

2-(4-bromophenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 3349762) has the molecular formula C16H16BrNO3S2 and a molecular weight of 414.35 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
PubChem CID3349762
Molecular FormulaC16H16BrNO3S2
Molecular Weight414.35 g/mol
Exact Mass412.98
IUPAC Name2-(4-bromophenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(S(=O)(=O)N2CCSC2c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNO3S2/c1-21-14-6-8-15(9-7-14)23(19,20)18-10-11-22-16(18)12-2-4-13(17)5-3-12/h2-9,16H,10-11H2,1H3
InChIKeyPQIJKLZNJKPHQA-UHFFFAOYSA-N
XLogP3.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(4-bromophenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine (CID 3349762) is 2-(4-bromophenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(4-bromophenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(4-bromophenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine is COc1ccc(S(=O)(=O)N2CCSC2c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is PQIJKLZNJKPHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3S2/c1-21-14-6-8-15(9-7-14)23(19,20)18-10-11-22-16(18)12-2-4-13(17)5-3-12/h2-9,16H,10-11H2,1H3.
What are the key properties of 2-(4-bromophenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine?
2-(4-bromophenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 414.35 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 3349762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).