1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide

C8H8BrClN4O3S — CID 168719093

IUPAC1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ncc(Br)nc2Cl)C1
InChIInChI=1S/C8H8BrClN4O3S/c9-5-2-12-8(7(10)13-5)14-3-4(1-6(14)15)18(11,16)17/h2,4H,1,3H2,(H2,11,16,17)
InChIKeyDKZBXBNMEMCUCI-UHFFFAOYSA-N
MW355.60 g/mol
LogP0.29
Rot. Bonds2

About 1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide

1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168719093) has the molecular formula C8H8BrClN4O3S and a molecular weight of 355.60 g/mol. Its IUPAC name is 1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168719093
Molecular FormulaC8H8BrClN4O3S
Molecular Weight355.60 g/mol
Exact Mass353.92
IUPAC Name1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ncc(Br)nc2Cl)C1
InChIInChI=1S/C8H8BrClN4O3S/c9-5-2-12-8(7(10)13-5)14-3-4(1-6(14)15)18(11,16)17/h2,4H,1,3H2,(H2,11,16,17)
InChIKeyDKZBXBNMEMCUCI-UHFFFAOYSA-N
XLogP0.29
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.60
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719062
1-(5-bromo-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719055
1-(5-amino-2-chloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719034
1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718581
1-(5-chloro-3-methoxypyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717468
1-(2-chloro-5-nitropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719060
1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718689
1-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718496
1-(3-bromo-5-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715138
1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719105
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719537
1-(2-bromo-5-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717714

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide (CID 168719093) is 1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2ncc(Br)nc2Cl)C1.
What is the InChIKey of 1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is DKZBXBNMEMCUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN4O3S/c9-5-2-12-8(7(10)13-5)14-3-4(1-6(14)15)18(11,16)17/h2,4H,1,3H2,(H2,11,16,17).
What are the key properties of 1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 355.60 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).