2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one

C20H23N3O6S2 — CID 22694958

IUPAC2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)CC1
InChIInChI=1S/C20H23N3O6S2/c1-29-19-5-3-2-4-18(19)21-11-13-22(14-12-21)31(27,28)17-8-6-16(7-9-17)23-20(24)10-15-30(23,25)26/h2-9H,10-15H2,1H3
InChIKeyDUTCFMBRZCEEBI-UHFFFAOYSA-N
MW465.55 g/mol
LogP1.27
Rot. Bonds5

About 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one

2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 22694958) has the molecular formula C20H23N3O6S2 and a molecular weight of 465.55 g/mol. Its IUPAC name is 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID22694958
Molecular FormulaC20H23N3O6S2
Molecular Weight465.55 g/mol
Exact Mass465.10
IUPAC Name2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)CC1
InChIInChI=1S/C20H23N3O6S2/c1-29-19-5-3-2-4-18(19)21-11-13-22(14-12-21)31(27,28)17-8-6-16(7-9-17)23-20(24)10-15-30(23,25)26/h2-9H,10-15H2,1H3
InChIKeyDUTCFMBRZCEEBI-UHFFFAOYSA-N
XLogP1.27
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one with MolForge

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Related Compounds

1,1-dioxo-2-(4-piperidin-1-ylsulfonylphenyl)-1,2-thiazolidin-3-one
CID 22694442
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
1-(2-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 1087313
1-(4-ethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1098869
2-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 20896758
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
2-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 20897639
N-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine
CID 71040307
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 91669754
2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 2324705
2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22695230
7-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 46341329

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one (CID 22694958) is 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one is COc1ccccc1N1CCN(S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)CC1.
What is the InChIKey of 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is DUTCFMBRZCEEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S2/c1-29-19-5-3-2-4-18(19)21-11-13-22(14-12-21)31(27,28)17-8-6-16(7-9-17)23-20(24)10-15-30(23,25)26/h2-9H,10-15H2,1H3.
What are the key properties of 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 465.55 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 22694958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).