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

C20H24BrNO5S2 — CID 122330225

IUPAC2-(5-bromo-2-methoxyphenyl)-3-(2,4-diethoxyphenyl)sulfonyl-1,3-thiazolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCSC2c2cc(Br)ccc2OC)c(OCC)c1
InChIInChI=1S/C20H24BrNO5S2/c1-4-26-15-7-9-19(18(13-15)27-5-2)29(23,24)22-10-11-28-20(22)16-12-14(21)6-8-17(16)25-3/h6-9,12-13,20H,4-5,10-11H2,1-3H3
InChIKeyHLBZYYRUOIFTTC-UHFFFAOYSA-N
MW502.45 g/mol
LogP4.69
Rot. Bonds8

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

2-(5-bromo-2-methoxyphenyl)-3-(2,4-diethoxyphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 122330225) has the molecular formula C20H24BrNO5S2 and a molecular weight of 502.45 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-3-(2,4-diethoxyphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-3-(2,4-diethoxyphenyl)sulfonyl-1,3-thiazolidine
PubChem CID122330225
Molecular FormulaC20H24BrNO5S2
Molecular Weight502.45 g/mol
Exact Mass501.03
IUPAC Name2-(5-bromo-2-methoxyphenyl)-3-(2,4-diethoxyphenyl)sulfonyl-1,3-thiazolidine
SMILESCCOc1ccc(S(=O)(=O)N2CCSC2c2cc(Br)ccc2OC)c(OCC)c1
InChIInChI=1S/C20H24BrNO5S2/c1-4-26-15-7-9-19(18(13-15)27-5-2)29(23,24)22-10-11-28-20(22)16-12-14(21)6-8-17(16)25-3/h6-9,12-13,20H,4-5,10-11H2,1-3H3
InChIKeyHLBZYYRUOIFTTC-UHFFFAOYSA-N
XLogP4.69
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-diethoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 122330957
3-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
CID 122330380
(2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine
CID 40837331
(2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine
CID 7013332
2-(5-bromo-2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3785998
2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
CID 3123287
(2R)-2-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
CID 1111423
2-(5-bromo-2-methoxyphenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 2859017
2-(5-bromo-2-methoxyphenyl)-3-(3,3,3-trifluoropropylsulfonyl)-1,3-thiazolidine
CID 122330200
(2R)-2-(3-bromo-4-methoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1254845
2-(2,5-dimethoxyphenyl)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3-thiazolidine
CID 122330248
(2R)-2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1143496

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-3-(2,4-diethoxyphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-3-(2,4-diethoxyphenyl)sulfonyl-1,3-thiazolidine (CID 122330225) is 2-(5-bromo-2-methoxyphenyl)-3-(2,4-diethoxyphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-3-(2,4-diethoxyphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-3-(2,4-diethoxyphenyl)sulfonyl-1,3-thiazolidine is CCOc1ccc(S(=O)(=O)N2CCSC2c2cc(Br)ccc2OC)c(OCC)c1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-3-(2,4-diethoxyphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is HLBZYYRUOIFTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO5S2/c1-4-26-15-7-9-19(18(13-15)27-5-2)29(23,24)22-10-11-28-20(22)16-12-14(21)6-8-17(16)25-3/h6-9,12-13,20H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-3-(2,4-diethoxyphenyl)sulfonyl-1,3-thiazolidine?
2-(5-bromo-2-methoxyphenyl)-3-(2,4-diethoxyphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 502.45 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-3-(2,4-diethoxyphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 122330225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).