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

C19H22N4O5S2 — CID 21004803

IUPAC4-methyl-1,1-dioxo-2-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-thiazolidin-3-one
SMILESCC1CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCN(c4ccccn4)CC3)cc2)C1=O
InChIInChI=1S/C19H22N4O5S2/c1-15-14-29(25,26)23(19(15)24)16-5-7-17(8-6-16)30(27,28)22-12-10-21(11-13-22)18-4-2-3-9-20-18/h2-9,15H,10-14H2,1H3
InChIKeyNSNDBVORCHOVAO-UHFFFAOYSA-N
MW450.54 g/mol
LogP0.90
Rot. Bonds4

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

4-methyl-1,1-dioxo-2-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-thiazolidin-3-one (PubChem CID 21004803) has the molecular formula C19H22N4O5S2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 4-methyl-1,1-dioxo-2-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name4-methyl-1,1-dioxo-2-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-thiazolidin-3-one
PubChem CID21004803
Molecular FormulaC19H22N4O5S2
Molecular Weight450.54 g/mol
Exact Mass450.10
IUPAC Name4-methyl-1,1-dioxo-2-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-thiazolidin-3-one
SMILESCC1CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCN(c4ccccn4)CC3)cc2)C1=O
InChIInChI=1S/C19H22N4O5S2/c1-15-14-29(25,26)23(19(15)24)16-5-7-17(8-6-16)30(27,28)22-12-10-21(11-13-22)18-4-2-3-9-20-18/h2-9,15H,10-14H2,1H3
InChIKeyNSNDBVORCHOVAO-UHFFFAOYSA-N
XLogP0.90
TPSA107.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

(4S)-2-[4-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
CID 42271491
methyl 1-[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylpiperidine-4-carboxylate
CID 42271942
(4S)-4-methyl-2-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 51710668
ethyl 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoate
CID 3890303
4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 42227729
1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one
CID 113098307
2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid
CID 4836430
7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 46341334
N-(2-methyl-4-pyridinyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004845
1-(2-nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 701155
1,3-dimethyl-6-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 68893990
6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one
CID 55560079

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,1-dioxo-2-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-thiazolidin-3-one?
The IUPAC name of 4-methyl-1,1-dioxo-2-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-thiazolidin-3-one (CID 21004803) is 4-methyl-1,1-dioxo-2-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-thiazolidin-3-one.
What is the SMILES notation for 4-methyl-1,1-dioxo-2-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-thiazolidin-3-one?
The canonical SMILES for 4-methyl-1,1-dioxo-2-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-thiazolidin-3-one is CC1CS(=O)(=O)N(c2ccc(S(=O)(=O)N3CCN(c4ccccn4)CC3)cc2)C1=O.
What is the InChIKey of 4-methyl-1,1-dioxo-2-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-thiazolidin-3-one?
The InChIKey is NSNDBVORCHOVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S2/c1-15-14-29(25,26)23(19(15)24)16-5-7-17(8-6-16)30(27,28)22-12-10-21(11-13-22)18-4-2-3-9-20-18/h2-9,15H,10-14H2,1H3.
What are the key properties of 4-methyl-1,1-dioxo-2-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-thiazolidin-3-one?
4-methyl-1,1-dioxo-2-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-thiazolidin-3-one has a molecular weight of 450.54 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,1-dioxo-2-[4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-1,2-thiazolidin-3-one is sourced from PubChem (CID 21004803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).