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

C13H13FN2O4S2 — CID 99991867

IUPAC3-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1[C@@H]1CCN(S(=O)(=O)c2ccccc2F)C1
InChIInChI=1S/C13H13FN2O4S2/c14-10-3-1-2-4-11(10)22(19,20)15-6-5-9(7-15)16-12(17)8-21-13(16)18/h1-4,9H,5-8H2/t9-/m1/s1
InChIKeyPHQFUHKITYLMDH-SECBINFHSA-N
MW344.39 g/mol
LogP1.28
Rot. Bonds3

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

3-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 99991867) has the molecular formula C13H13FN2O4S2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
PubChem CID99991867
Molecular FormulaC13H13FN2O4S2
Molecular Weight344.39 g/mol
Exact Mass344.03
IUPAC Name3-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1[C@@H]1CCN(S(=O)(=O)c2ccccc2F)C1
InChIInChI=1S/C13H13FN2O4S2/c14-10-3-1-2-4-11(10)22(19,20)15-6-5-9(7-15)16-12(17)8-21-13(16)18/h1-4,9H,5-8H2/t9-/m1/s1
InChIKeyPHQFUHKITYLMDH-SECBINFHSA-N
XLogP1.28
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.28
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-[(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99991977
3-[1-[(2-fluorophenyl)methylsulfonyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121157239
3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121157155
3-[(3S)-1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99991927
(4aS,8aS)-2-(2-fluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926572
1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 51892276
4-cyclopropyl-1-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124725171
methyl 4-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)pyrrolidin-1-yl]sulfonylbenzoate
CID 86265731
1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine
CID 61046286
3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 91815056
1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine
CID 64570512
N,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 63169136

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione (CID 99991867) is 3-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1[C@@H]1CCN(S(=O)(=O)c2ccccc2F)C1.
What is the InChIKey of 3-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is PHQFUHKITYLMDH-SECBINFHSA-N. The full InChI is InChI=1S/C13H13FN2O4S2/c14-10-3-1-2-4-11(10)22(19,20)15-6-5-9(7-15)16-12(17)8-21-13(16)18/h1-4,9H,5-8H2/t9-/m1/s1.
What are the key properties of 3-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione?
3-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 344.39 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 99991867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).