[1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C8H8ClFN2O3S2 — CID 168677392

IUPAC[1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1ncc(Cl)s1
InChIInChI=1S/C8H8ClFN2O3S2/c9-6-2-11-8(16-6)12-3-5(1-7(12)13)4-17(10,14)15/h2,5H,1,3-4H2
InChIKeyVHYXHLRZZKOWJQ-UHFFFAOYSA-N
MW298.75 g/mol
LogP1.45
Rot. Bonds3

About [1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168677392) has the molecular formula C8H8ClFN2O3S2 and a molecular weight of 298.75 g/mol. Its IUPAC name is [1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168677392
Molecular FormulaC8H8ClFN2O3S2
Molecular Weight298.75 g/mol
Exact Mass297.96
IUPAC Name[1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1c1ncc(Cl)s1
InChIInChI=1S/C8H8ClFN2O3S2/c9-6-2-11-8(16-6)12-3-5(1-7(12)13)4-17(10,14)15/h2,5H,1,3-4H2
InChIKeyVHYXHLRZZKOWJQ-UHFFFAOYSA-N
XLogP1.45
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168677392) is [1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1c1ncc(Cl)s1.
What is the InChIKey of [1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is VHYXHLRZZKOWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O3S2/c9-6-2-11-8(16-6)12-3-5(1-7(12)13)4-17(10,14)15/h2,5H,1,3-4H2.
What are the key properties of [1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 298.75 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-1,3-thiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168677392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).