4-[4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carbonyl]benzenesulfonamide

C15H17N3O5S2 — CID 121157013

IUPAC4-[4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1
InChIInChI=1S/C15H17N3O5S2/c16-25(22,23)12-3-1-10(2-4-12)14(20)17-7-5-11(6-8-17)18-13(19)9-24-15(18)21/h1-4,11H,5-9H2,(H2,16,22,23)
InChIKeyDIQVNPVUFYITPU-UHFFFAOYSA-N
MW383.45 g/mol
LogP0.63
Rot. Bonds3

About 4-[4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carbonyl]benzenesulfonamide

4-[4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 121157013) has the molecular formula C15H17N3O5S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID121157013
Molecular FormulaC15H17N3O5S2
Molecular Weight383.45 g/mol
Exact Mass383.06
IUPAC Name4-[4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1
InChIInChI=1S/C15H17N3O5S2/c16-25(22,23)12-3-1-10(2-4-12)14(20)17-7-5-11(6-8-17)18-13(19)9-24-15(18)21/h1-4,11H,5-9H2,(H2,16,22,23)
InChIKeyDIQVNPVUFYITPU-UHFFFAOYSA-N
XLogP0.63
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

3-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121157074
3-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121157026
3-[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121157176
N-[4-[(3R)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 99991762
3-[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121156884
3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 86265737
3-[(3S)-1-(thiophene-3-carbonyl)pyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99878132
4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide
CID 146048142
3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121157155
3-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121156899
4-(3-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 112698154
3-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121156873

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carbonyl]benzenesulfonamide (CID 121157013) is 4-[4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carbonyl]benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCC(N3C(=O)CSC3=O)CC2)cc1.
What is the InChIKey of 4-[4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is DIQVNPVUFYITPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S2/c16-25(22,23)12-3-1-10(2-4-12)14(20)17-7-5-11(6-8-17)18-13(19)9-24-15(18)21/h1-4,11H,5-9H2,(H2,16,22,23).
What are the key properties of 4-[4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carbonyl]benzenesulfonamide?
4-[4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 383.45 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dioxo-1,3-thiazolidin-3-yl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 121157013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).