1-[4-(furan-2-yl)pyrimidin-2-yl]-5-oxopyrrolidine-3-sulfonamide

C12H12N4O4S — CID 168719599

IUPAC1-[4-(furan-2-yl)pyrimidin-2-yl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2nccc(-c3ccco3)n2)C1
InChIInChI=1S/C12H12N4O4S/c13-21(18,19)8-6-11(17)16(7-8)12-14-4-3-9(15-12)10-2-1-5-20-10/h1-5,8H,6-7H2,(H2,13,18,19)
InChIKeyUVWBQAGXJBJPOE-UHFFFAOYSA-N
MW308.32 g/mol
LogP0.13
Rot. Bonds3

About 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-oxopyrrolidine-3-sulfonamide

1-[4-(furan-2-yl)pyrimidin-2-yl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168719599) has the molecular formula C12H12N4O4S and a molecular weight of 308.32 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[4-(furan-2-yl)pyrimidin-2-yl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168719599
Molecular FormulaC12H12N4O4S
Molecular Weight308.32 g/mol
Exact Mass308.06
IUPAC Name1-[4-(furan-2-yl)pyrimidin-2-yl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2nccc(-c3ccco3)n2)C1
InChIInChI=1S/C12H12N4O4S/c13-21(18,19)8-6-11(17)16(7-8)12-14-4-3-9(15-12)10-2-1-5-20-10/h1-5,8H,6-7H2,(H2,13,18,19)
InChIKeyUVWBQAGXJBJPOE-UHFFFAOYSA-N
XLogP0.13
TPSA119.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(aminomethyl)-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrrolidin-2-one
CID 168661436
5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide
CID 168719634
5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide
CID 168719616
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719537
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282
5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
1-[2-(2-hydroxyethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide
CID 168719470
1-(6-cyano-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719366
1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168718021
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717516
5-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-sulfonamide
CID 168719509
5-oxo-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-3-sulfonamide
CID 168719652

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-oxopyrrolidine-3-sulfonamide (CID 168719599) is 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2nccc(-c3ccco3)n2)C1.
What is the InChIKey of 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is UVWBQAGXJBJPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4S/c13-21(18,19)8-6-11(17)16(7-8)12-14-4-3-9(15-12)10-2-1-5-20-10/h1-5,8H,6-7H2,(H2,13,18,19).
What are the key properties of 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-oxopyrrolidine-3-sulfonamide?
1-[4-(furan-2-yl)pyrimidin-2-yl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 308.32 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).