(2S)-3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine

C18H20BrNO5S2 — CID 1279279

IUPAC(2S)-3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1cc(OC)c([C@@H]2SCCN2S(=O)(=O)c2ccc(Br)cc2)cc1OC
InChIInChI=1S/C18H20BrNO5S2/c1-23-15-11-17(25-3)16(24-2)10-14(15)18-20(8-9-26-18)27(21,22)13-6-4-12(19)5-7-13/h4-7,10-11,18H,8-9H2,1-3H3/t18-/m0/s1
InChIKeyRKYBUKZVVBAJFX-SFHVURJKSA-N
MW474.40 g/mol
LogP3.91
Rot. Bonds6

About (2S)-3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine

(2S)-3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (PubChem CID 1279279) has the molecular formula C18H20BrNO5S2 and a molecular weight of 474.40 g/mol. Its IUPAC name is (2S)-3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name(2S)-3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
PubChem CID1279279
Molecular FormulaC18H20BrNO5S2
Molecular Weight474.40 g/mol
Exact Mass473.00
IUPAC Name(2S)-3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1cc(OC)c([C@@H]2SCCN2S(=O)(=O)c2ccc(Br)cc2)cc1OC
InChIInChI=1S/C18H20BrNO5S2/c1-23-15-11-17(25-3)16(24-2)10-14(15)18-20(8-9-26-18)27(21,22)13-6-4-12(19)5-7-13/h4-7,10-11,18H,8-9H2,1-3H3/t18-/m0/s1
InChIKeyRKYBUKZVVBAJFX-SFHVURJKSA-N
XLogP3.91
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(5-bromo-2-methoxyphenyl)-3-(4-bromophenyl)sulfonyl-1,3-thiazolidine
CID 40837331
3-(4-iodophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 23800416
2-(5-bromo-2-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3785998
4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]benzonitrile
CID 122330940
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
(2S)-3-(benzenesulfonyl)-2-(5-bromo-2-methoxyphenyl)-1,3-thiazolidine
CID 7013332
3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 122330885
2-(5-bromo-2-methoxyphenyl)-3-(4-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 2859017
(2R)-2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1143496
4-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole
CID 122330921
(2S)-3-(4-bromophenyl)sulfonyl-2-(4-methoxy-3-nitrophenyl)-1,3-thiazolidine
CID 1125781

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of (2S)-3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (CID 1279279) is (2S)-3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for (2S)-3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for (2S)-3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is COc1cc(OC)c([C@@H]2SCCN2S(=O)(=O)c2ccc(Br)cc2)cc1OC.
What is the InChIKey of (2S)-3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The InChIKey is RKYBUKZVVBAJFX-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20BrNO5S2/c1-23-15-11-17(25-3)16(24-2)10-14(15)18-20(8-9-26-18)27(21,22)13-6-4-12(19)5-7-13/h4-7,10-11,18H,8-9H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
(2S)-3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine has a molecular weight of 474.40 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 1279279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).