2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine

C17H18FNO4S2 — CID 656153

IUPAC2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(C2SCCN2S(=O)(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H18FNO4S2/c1-22-15-8-3-12(11-16(15)23-2)17-19(9-10-24-17)25(20,21)14-6-4-13(18)5-7-14/h3-8,11,17H,9-10H2,1-2H3
InChIKeyZLJBJOPJFWZHQN-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.28
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine

2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine (PubChem CID 656153) has the molecular formula C17H18FNO4S2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine
PubChem CID656153
Molecular FormulaC17H18FNO4S2
Molecular Weight383.47 g/mol
Exact Mass383.07
IUPAC Name2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1ccc(C2SCCN2S(=O)(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H18FNO4S2/c1-22-15-8-3-12(11-16(15)23-2)17-19(9-10-24-17)25(20,21)14-6-4-13(18)5-7-14/h3-8,11,17H,9-10H2,1-2H3
InChIKeyZLJBJOPJFWZHQN-UHFFFAOYSA-N
XLogP3.28
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-{2-[(3,4-Dimethoxybenzyl)amino]ethyl}benzenesulfonamide
CID 4722332
4-(3,4-Dimethoxybenzyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 2767989
1-(3,4-Dimethoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 1122329
3-Benzenesulfonyl-2-(3,4-dimethoxy-phenyl)-thiazolidine
CID 652980
2-(3-Fluorobenzenesulfonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 983821
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
2-(2,5-Dimethoxyphenyl)-3-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,3-thiazolidine
CID 3236242
3-(Benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine
CID 4174260
3-{4-[(4-Fluorobenzyl)oxy]-3-methoxyphenyl}-2-methyltetrahydro-4-isoxazolyl phenyl sulfone
CID 4593060
3-(4-Fluoro-benzenesulfonyl)-2-(2,4,5-trimethoxy-phenyl)-thiazolidine
CID 655645
1-(3,4-Dimethoxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1131681

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine (CID 656153) is 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine is COc1ccc(C2SCCN2S(=O)(=O)c2ccc(F)cc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is ZLJBJOPJFWZHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4S2/c1-22-15-8-3-12(11-16(15)23-2)17-19(9-10-24-17)25(20,21)14-6-4-13(18)5-7-14/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine?
2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 383.47 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 656153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).