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

C19H23NO6S2 — CID 2876677

IUPAC3-(4-methoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccc(S(=O)(=O)N2CCSC2c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C19H23NO6S2/c1-23-13-5-7-14(8-6-13)28(21,22)20-9-10-27-19(20)15-11-17(25-3)18(26-4)12-16(15)24-2/h5-8,11-12,19H,9-10H2,1-4H3
InChIKeyMBPFNFLKBMFUNL-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.16
Rot. Bonds7

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

3-(4-methoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (PubChem CID 2876677) has the molecular formula C19H23NO6S2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
PubChem CID2876677
Molecular FormulaC19H23NO6S2
Molecular Weight425.53 g/mol
Exact Mass425.10
IUPAC Name3-(4-methoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccc(S(=O)(=O)N2CCSC2c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C19H23NO6S2/c1-23-13-5-7-14(8-6-13)28(21,22)20-9-10-27-19(20)15-11-17(25-3)18(26-4)12-16(15)24-2/h5-8,11-12,19H,9-10H2,1-4H3
InChIKeyMBPFNFLKBMFUNL-UHFFFAOYSA-N
XLogP3.16
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-Dimethoxy-phenyl)-3-(4-fluoro-benzenesulfonyl)-thiazolidine
CID 656153
3-Benzenesulfonyl-2-(3,4-dimethoxy-phenyl)-thiazolidine
CID 652980
3-(4-Fluoro-benzenesulfonyl)-2-(2,4,5-trimethoxy-phenyl)-thiazolidine
CID 655645
1-(Phenylsulfonyl)-4-(2,3,4-trimethoxybenzyl)piperazine
CID 1122390
2-(3,4-Dimethoxy-phenyl)-3-(4-methoxy-benzenesulfonyl)-thiazolidine
CID 649048
2-(2,5-Dimethoxyphenyl)-3-(4-fluorobenzenesulfonyl)-1,3-thiazolidine
CID 3144174
2-(2,4-Dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 2881164
N-cyclobutyl-N-[(2,4-dimethoxyphenyl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 137645086
2-(3,4-Dimethoxyphenyl)-3-((4-ethoxyphenyl)sulfonyl)thiazolidine
CID 2858241
2-(2,5-Dimethoxyphenyl)-3-((4-methoxyphenyl)sulfonyl)thiazolidine
CID 3144176
2-(2,5-Dimethoxyphenyl)-3-(4-ethoxybenzenesulfonyl)-1,3-thiazolidine
CID 3144177
3-(4-Bromophenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine
CID 3814993

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(4-methoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine (CID 2876677) is 3-(4-methoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is COc1ccc(S(=O)(=O)N2CCSC2c2cc(OC)c(OC)cc2OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
The InChIKey is MBPFNFLKBMFUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6S2/c1-23-13-5-7-14(8-6-13)28(21,22)20-9-10-27-19(20)15-11-17(25-3)18(26-4)12-16(15)24-2/h5-8,11-12,19H,9-10H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine?
3-(4-methoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine has a molecular weight of 425.53 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfonyl-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 2876677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).