[1-(4-amino-2,5-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C10H12Br2N4O3S — CID 168682216

IUPAC[1-(4-amino-2,5-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNc1c(Br)cnc(Br)c1N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C10H12Br2N4O3S/c11-6-2-15-10(12)9(8(6)13)16-3-5(1-7(16)17)4-20(14,18)19/h2,5H,1,3-4H2,(H2,13,15)(H2,14,18,19)
InChIKeyQPYAKCLOOLZKCT-UHFFFAOYSA-N
MW428.11 g/mol
LogP0.83
Rot. Bonds3

About [1-(4-amino-2,5-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(4-amino-2,5-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168682216) has the molecular formula C10H12Br2N4O3S and a molecular weight of 428.11 g/mol. Its IUPAC name is [1-(4-amino-2,5-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(4-amino-2,5-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168682216
Molecular FormulaC10H12Br2N4O3S
Molecular Weight428.11 g/mol
Exact Mass425.90
IUPAC Name[1-(4-amino-2,5-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNc1c(Br)cnc(Br)c1N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C10H12Br2N4O3S/c11-6-2-15-10(12)9(8(6)13)16-3-5(1-7(16)17)4-20(14,18)19/h2,5H,1,3-4H2,(H2,13,15)(H2,14,18,19)
InChIKeyQPYAKCLOOLZKCT-UHFFFAOYSA-N
XLogP0.83
TPSA119.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.11
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-2,5-dibromo-3-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508540
1-(3-amino-2,5-dibromo-4-pyridinyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508541
[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682854
[1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682857
[1-(5-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681216
[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681706
[1-(5-bromo-3-hydroxy-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682336
[1-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682343
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
4-amino-1-(3-amino-2,5-dibromo-4-pyridinyl)pyrrolidin-2-one
CID 168700362
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
[1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680793

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-2,5-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(4-amino-2,5-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168682216) is [1-(4-amino-2,5-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(4-amino-2,5-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(4-amino-2,5-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is Nc1c(Br)cnc(Br)c1N1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of [1-(4-amino-2,5-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is QPYAKCLOOLZKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N4O3S/c11-6-2-15-10(12)9(8(6)13)16-3-5(1-7(16)17)4-20(14,18)19/h2,5H,1,3-4H2,(H2,13,15)(H2,14,18,19).
What are the key properties of [1-(4-amino-2,5-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(4-amino-2,5-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 428.11 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-2,5-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168682216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).