1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide

C8H10BrN5O3S — CID 168719062

IUPAC1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESNc1ncc(Br)nc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C8H10BrN5O3S/c9-5-2-12-7(10)8(13-5)14-3-4(1-6(14)15)18(11,16)17/h2,4H,1,3H2,(H2,10,12)(H2,11,16,17)
InChIKeyBKUVQIHPDKNTTD-UHFFFAOYSA-N
MW336.17 g/mol
LogP-0.78
Rot. Bonds2

About 1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide

1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168719062) has the molecular formula C8H10BrN5O3S and a molecular weight of 336.17 g/mol. Its IUPAC name is 1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168719062
Molecular FormulaC8H10BrN5O3S
Molecular Weight336.17 g/mol
Exact Mass334.97
IUPAC Name1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
SMILESNc1ncc(Br)nc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C8H10BrN5O3S/c9-5-2-12-7(10)8(13-5)14-3-4(1-6(14)15)18(11,16)17/h2,4H,1,3H2,(H2,10,12)(H2,11,16,17)
InChIKeyBKUVQIHPDKNTTD-UHFFFAOYSA-N
XLogP-0.78
TPSA132.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-bromo-3-chloropyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719093
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-bromo-3-(hydroxymethyl)-2-pyridinyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718496
1-(3-bromo-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719105
1-(5-chloro-3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718581
1-(2-bromo-5-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717714
1-(5-chloro-3-methoxypyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168717468
1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718689
5-oxo-1-(1,3,5-triazin-2-yl)pyrrolidine-3-sulfonamide
CID 168719634
1-(2-chloro-5-nitropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719060
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719537

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide (CID 168719062) is 1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide is Nc1ncc(Br)nc1N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is BKUVQIHPDKNTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN5O3S/c9-5-2-12-7(10)8(13-5)14-3-4(1-6(14)15)18(11,16)17/h2,4H,1,3H2,(H2,10,12)(H2,11,16,17).
What are the key properties of 1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide?
1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 336.17 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).