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

C16H15BrClNO3S2 — CID 3123287

IUPAC2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(Br)cc1C1SCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15BrClNO3S2/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
InChIKeyBDQWSLMYLHYUMW-UHFFFAOYSA-N
MW448.79 g/mol
LogP4.55
Rot. Bonds4

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

2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine (PubChem CID 3123287) has the molecular formula C16H15BrClNO3S2 and a molecular weight of 448.79 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
PubChem CID3123287
Molecular FormulaC16H15BrClNO3S2
Molecular Weight448.79 g/mol
Exact Mass446.94
IUPAC Name2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(Br)cc1C1SCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15BrClNO3S2/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
InChIKeyBDQWSLMYLHYUMW-UHFFFAOYSA-N
XLogP4.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.79
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
CID 1111423
(2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine
CID 40837331
2-(5-bromo-2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3785998
(2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine
CID 7013332
(2R)-3-(4-chlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
CID 1143484
2-(5-bromo-2-methoxyphenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 2859017
(2S)-3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 1279279
(2R)-2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1143496
4-[4-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]-2-methyl-1,3-oxazole
CID 122330205
2-(5-bromo-2-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-thiazolidine
CID 4912988
2-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3144172
(2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
CID 6991011

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine (CID 3123287) is 2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine is COc1ccc(Br)cc1C1SCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is BDQWSLMYLHYUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO3S2/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-chlorophenyl)sulfonyl-1,3-thiazolidine?
2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 448.79 g/mol, XLogP of 4.55, 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-chlorophenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 3123287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).