3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine

C17H19NO4S2 — CID 652980

IUPAC3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccc(C2SCCN2S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C17H19NO4S2/c1-21-15-9-8-13(12-16(15)22-2)17-18(10-11-23-17)24(19,20)14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3
InChIKeyJRVQDGBYJXWOBT-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.14
Rot. Bonds5

About 3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine

3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine (PubChem CID 652980) has the molecular formula C17H19NO4S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine
PubChem CID652980
Molecular FormulaC17H19NO4S2
Molecular Weight365.48 g/mol
Exact Mass365.08
IUPAC Name3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine
SMILESCOc1ccc(C2SCCN2S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C17H19NO4S2/c1-21-15-9-8-13(12-16(15)22-2)17-18(10-11-23-17)24(19,20)14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3
InChIKeyJRVQDGBYJXWOBT-UHFFFAOYSA-N
XLogP3.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tiapamil
CID 42107
3-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 2860044
4-{2-[(3,4-Dimethoxybenzyl)amino]ethyl}benzenesulfonamide
CID 4722332
4-(3,4-Dimethoxybenzyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 2767989
2-(3,4-Dimethoxy-phenyl)-3-(4-fluoro-benzenesulfonyl)-thiazolidine
CID 656153
1-(3,4-Dimethoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 1122329
2-(3,4-Dimethoxyphenyl)-1,3-thiazolidine
CID 3050896
N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-3-(pyrrolidine-1-sulfonyl)-benzenesulfonamide
CID 645561
N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-4-(pyrrolidine-1-sulfonyl)-benzenesulfonamide
CID 652692
Benzene-1,4-disulfonic acid 1-(cyclohexyl-methyl-amide) 4-{[2-(3,4-dimethoxy-phenyl)-ethyl]-thiophen-2-ylmethyl-amide}
CID 1168573
2-(4-Methoxyphenyl)-1,3-thiazolan-3-yl phenyl sulfone
CID 2859306
N1-butan-2-yl-N4-[2-(3,4-dimethoxyphenyl)ethyl]-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 3185254

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine?
The IUPAC name of 3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine (CID 652980) is 3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine?
The canonical SMILES for 3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine is COc1ccc(C2SCCN2S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine?
The InChIKey is JRVQDGBYJXWOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S2/c1-21-15-9-8-13(12-16(15)22-2)17-18(10-11-23-17)24(19,20)14-6-4-3-5-7-14/h3-9,12,17H,10-11H2,1-2H3.
What are the key properties of 3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine?
3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine has a molecular weight of 365.48 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine is sourced from PubChem (CID 652980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).