3-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine

C19H22BrNO5S2 — CID 122330380

IUPAC3-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N1CCSC1c1cc(OC)ccc1OC
InChIInChI=1S/C19H22BrNO5S2/c1-4-26-17-7-5-13(20)11-18(17)28(22,23)21-9-10-27-19(21)15-12-14(24-2)6-8-16(15)25-3/h5-8,11-12,19H,4,9-10H2,1-3H3
InChIKeyUAXYDHRFRZEOQG-UHFFFAOYSA-N
MW488.43 g/mol
LogP4.30
Rot. Bonds7

About 3-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine

3-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine (PubChem CID 122330380) has the molecular formula C19H22BrNO5S2 and a molecular weight of 488.43 g/mol. Its IUPAC name is 3-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
PubChem CID122330380
Molecular FormulaC19H22BrNO5S2
Molecular Weight488.43 g/mol
Exact Mass487.01
IUPAC Name3-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N1CCSC1c1cc(OC)ccc1OC
InChIInChI=1S/C19H22BrNO5S2/c1-4-26-17-7-5-13(20)11-18(17)28(22,23)21-9-10-27-19(21)15-12-14(24-2)6-8-16(15)25-3/h5-8,11-12,19H,4,9-10H2,1-3H3
InChIKeyUAXYDHRFRZEOQG-UHFFFAOYSA-N
XLogP4.30
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.43
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-3-(2,4-diethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 122330225
(2R)-2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1143496
2-(2,5-dimethoxyphenyl)-3-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3-thiazolidine
CID 122330248
3-(2,4-diethoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 122330957
(2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine
CID 40837331
2-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3144172
(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
(2R)-3-(4-chlorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
CID 1143484
(2S)-2-(2,5-dimethoxyphenyl)-3-(3-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1143477
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

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine (CID 122330380) is 3-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine is CCOc1ccc(Br)cc1S(=O)(=O)N1CCSC1c1cc(OC)ccc1OC.
What is the InChIKey of 3-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine?
The InChIKey is UAXYDHRFRZEOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO5S2/c1-4-26-17-7-5-13(20)11-18(17)28(22,23)21-9-10-27-19(21)15-12-14(24-2)6-8-16(15)25-3/h5-8,11-12,19H,4,9-10H2,1-3H3.
What are the key properties of 3-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine?
3-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine has a molecular weight of 488.43 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-ethoxyphenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 122330380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).