3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione

C14H15FN2O4S2 — CID 121157155

IUPAC3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H15FN2O4S2/c15-10-1-3-12(4-2-10)23(20,21)16-7-5-11(6-8-16)17-13(18)9-22-14(17)19/h1-4,11H,5-9H2
InChIKeyHNSNVSFMNDBMST-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.67
Rot. Bonds3

About 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione

3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 121157155) has the molecular formula C14H15FN2O4S2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione
PubChem CID121157155
Molecular FormulaC14H15FN2O4S2
Molecular Weight358.42 g/mol
Exact Mass358.05
IUPAC Name3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H15FN2O4S2/c15-10-1-3-12(4-2-10)23(20,21)16-7-5-11(6-8-16)17-13(18)9-22-14(17)19/h1-4,11H,5-9H2
InChIKeyHNSNVSFMNDBMST-UHFFFAOYSA-N
XLogP1.67
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-acetylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121157176
3-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99991867
3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121157239
3-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121157226
3-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazolidine-2,4-dione
CID 121157204
3-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121156899
1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine
CID 7175888
O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine
CID 39390371
1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine
CID 63978614
3-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 86265494
1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine
CID 63169006
4-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 121160578

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione (CID 121157155) is 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is HNSNVSFMNDBMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4S2/c15-10-1-3-12(4-2-10)23(20,21)16-7-5-11(6-8-16)17-13(18)9-22-14(17)19/h1-4,11H,5-9H2.
What are the key properties of 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione?
3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 358.42 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 121157155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).