1-(4-bromopyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C8H7BrFN3O3S — CID 168716274

IUPAC1-(4-bromopyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1nccc(Br)n1
InChIInChI=1S/C8H7BrFN3O3S/c9-6-1-2-11-8(12-6)13-4-5(3-7(13)14)17(10,15)16/h1-2,5H,3-4H2
InChIKeyBXAJWHFARIKRGF-UHFFFAOYSA-N
MW324.13 g/mol
LogP0.64
Rot. Bonds2

About 1-(4-bromopyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(4-bromopyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168716274) has the molecular formula C8H7BrFN3O3S and a molecular weight of 324.13 g/mol. Its IUPAC name is 1-(4-bromopyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(4-bromopyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168716274
Molecular FormulaC8H7BrFN3O3S
Molecular Weight324.13 g/mol
Exact Mass322.94
IUPAC Name1-(4-bromopyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1nccc(Br)n1
InChIInChI=1S/C8H7BrFN3O3S/c9-6-1-2-11-8(12-6)13-4-5(3-7(13)14)17(10,15)16/h1-2,5H,3-4H2
InChIKeyBXAJWHFARIKRGF-UHFFFAOYSA-N
XLogP0.64
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(4-bromopyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168716274) is 1-(4-bromopyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(4-bromopyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(4-bromopyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1nccc(Br)n1.
What is the InChIKey of 1-(4-bromopyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is BXAJWHFARIKRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFN3O3S/c9-6-1-2-11-8(12-6)13-4-5(3-7(13)14)17(10,15)16/h1-2,5H,3-4H2.
What are the key properties of 1-(4-bromopyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(4-bromopyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 324.13 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromopyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168716274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).