2-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine

C16H15BrFNO3S2 — CID 3469950

IUPAC2-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(Br)cc1C1SCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15BrFNO3S2/c1-22-15-7-2-11(17)10-14(15)16-19(8-9-23-16)24(20,21)13-5-3-12(18)4-6-13/h2-7,10,16H,8-9H2,1H3
InChIKeyNWKWFEDRIPPAPT-UHFFFAOYSA-N
MW432.34 g/mol
LogP4.03
Rot. Bonds4

About 2-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine

2-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine (PubChem CID 3469950) has the molecular formula C16H15BrFNO3S2 and a molecular weight of 432.34 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine
PubChem CID3469950
Molecular FormulaC16H15BrFNO3S2
Molecular Weight432.34 g/mol
Exact Mass430.97
IUPAC Name2-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(Br)cc1C1SCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H15BrFNO3S2/c1-22-15-7-2-11(17)10-14(15)16-19(8-9-23-16)24(20,21)13-5-3-12(18)4-6-13/h2-7,10,16H,8-9H2,1H3
InChIKeyNWKWFEDRIPPAPT-UHFFFAOYSA-N
XLogP4.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.34
LogP ≤ 54.03
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-(4-fluorophenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine (CID 3469950) is 2-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine is COc1ccc(Br)cc1C1SCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is NWKWFEDRIPPAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO3S2/c1-22-15-7-2-11(17)10-14(15)16-19(8-9-23-16)24(20,21)13-5-3-12(18)4-6-13/h2-7,10,16H,8-9H2,1H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine?
2-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 432.34 g/mol, XLogP of 4.03, 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-(4-fluorophenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 3469950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).