1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C9H9ClFN3O4S — CID 168714152

IUPAC1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCOc1cc(Cl)nc(N2CC(S(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C9H9ClFN3O4S/c1-18-7-3-6(10)12-9(13-7)14-4-5(2-8(14)15)19(11,16)17/h3,5H,2,4H2,1H3
InChIKeySXFSJXSUCRASHX-UHFFFAOYSA-N
MW309.71 g/mol
LogP0.54
Rot. Bonds3

About 1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714152) has the molecular formula C9H9ClFN3O4S and a molecular weight of 309.71 g/mol. Its IUPAC name is 1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714152
Molecular FormulaC9H9ClFN3O4S
Molecular Weight309.71 g/mol
Exact Mass309.00
IUPAC Name1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCOc1cc(Cl)nc(N2CC(S(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C9H9ClFN3O4S/c1-18-7-3-6(10)12-9(13-7)14-4-5(2-8(14)15)19(11,16)17/h3,5H,2,4H2,1H3
InChIKeySXFSJXSUCRASHX-UHFFFAOYSA-N
XLogP0.54
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714152) is 1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is COc1cc(Cl)nc(N2CC(S(=O)(=O)F)CC2=O)n1.
What is the InChIKey of 1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is SXFSJXSUCRASHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN3O4S/c1-18-7-3-6(10)12-9(13-7)14-4-5(2-8(14)15)19(11,16)17/h3,5H,2,4H2,1H3.
What are the key properties of 1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 309.71 g/mol, XLogP of 0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-methoxypyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).