2-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one

C20H23N3O5S2 — CID 20897639

IUPAC2-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H23N3O5S2/c1-16-7-8-18(23-20(24)9-14-29(23,25)26)15-19(16)30(27,28)22-12-10-21(11-13-22)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3
InChIKeyQHYWXNZKGQQUKY-UHFFFAOYSA-N
MW449.55 g/mol
LogP1.57
Rot. Bonds4

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

2-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 20897639) has the molecular formula C20H23N3O5S2 and a molecular weight of 449.55 g/mol. Its IUPAC name is 2-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID20897639
Molecular FormulaC20H23N3O5S2
Molecular Weight449.55 g/mol
Exact Mass449.11
IUPAC Name2-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H23N3O5S2/c1-16-7-8-18(23-20(24)9-14-29(23,25)26)15-19(16)30(27,28)22-12-10-21(11-13-22)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3
InChIKeyQHYWXNZKGQQUKY-UHFFFAOYSA-N
XLogP1.57
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22695035
N-(2-ethylphenyl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20995978
2-[3-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-4-methylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 42343274
ethyl 4-[2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylpiperazine-1-carboxylate
CID 21004692
N-[(2S)-butan-2-yl]-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 42342558
2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride
CID 16641363
1-(2,4-dibromo-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 50876773
2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22694958
N-(2-cyanophenyl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22695181
N-(2-hydroxy-2-methylpropyl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 110306774
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20995617
N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22695184

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one (CID 20897639) is 2-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one is Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is QHYWXNZKGQQUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S2/c1-16-7-8-18(23-20(24)9-14-29(23,25)26)15-19(16)30(27,28)22-12-10-21(11-13-22)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3.
What are the key properties of 2-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one?
2-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 449.55 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 20897639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).