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

C18H20BrNO5S2 — CID 3814993

IUPAC3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1cc(OC)c(C2SCCN2S(=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
InChIKeyRKYBUKZVVBAJFX-UHFFFAOYSA-N
MW474.40 g/mol
LogP3.91
Rot. Bonds6

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

3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (PubChem CID 3814993) has the molecular formula C18H20BrNO5S2 and a molecular weight of 474.40 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
PubChem CID3814993
Molecular FormulaC18H20BrNO5S2
Molecular Weight474.40 g/mol
Exact Mass473.00
IUPAC Name3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1cc(OC)c(C2SCCN2S(=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
InChIKeyRKYBUKZVVBAJFX-UHFFFAOYSA-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

3-(4-Fluoro-benzenesulfonyl)-2-(2,4,5-trimethoxy-phenyl)-thiazolidine
CID 655645
2-bromo-N-ethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 46902126
3-[(4-Methoxyphenyl)sulfonyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 2876677
3-(4-Chloro-benzenesulfonyl)-2-(2,4,5-trimethoxy-phenyl)-thiazolidine
CID 2876678
3-(m-Tolylsulfonyl)-2-(2,4,5-trimethoxyphenyl)thiazolidine
CID 3129093
3-[(4-Methylphenyl)sulfonyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 3129094
3-(4-Bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine
CID 3355422
(2S)-3-(4-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 1081489
(2R)-3-(4-fluorophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 1081490
3-((2-Fluorophenyl)sulfonyl)-2-(2,4,5-trimethoxyphenyl)thiazolidine
CID 122330678
3-((3-Fluorophenyl)sulfonyl)-2-(2,4,5-trimethoxyphenyl)thiazolidine
CID 122330679
3-((2,4-Difluorophenyl)sulfonyl)-2-(2,4,5-trimethoxyphenyl)thiazolidine
CID 122330684

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (CID 3814993) is 3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is COc1cc(OC)c(C2SCCN2S(=O)(=O)c2ccc(Br)cc2)cc1OC.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The InChIKey is RKYBUKZVVBAJFX-UHFFFAOYSA-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.
What are the key properties of 3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
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 3-(4-bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 3814993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).