[1-(5-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C11H14BrN3O4S — CID 168681216

IUPAC[1-(5-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCOc1ncc(N2CC(CS(N)(=O)=O)CC2=O)cc1Br
InChIInChI=1S/C11H14BrN3O4S/c1-19-11-9(12)3-8(4-14-11)15-5-7(2-10(15)16)6-20(13,17)18/h3-4,7H,2,5-6H2,1H3,(H2,13,17,18)
InChIKeyFZNZVEMXDNFVFA-UHFFFAOYSA-N
MW364.22 g/mol
LogP0.49
Rot. Bonds4

About [1-(5-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(5-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681216) has the molecular formula C11H14BrN3O4S and a molecular weight of 364.22 g/mol. Its IUPAC name is [1-(5-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(5-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681216
Molecular FormulaC11H14BrN3O4S
Molecular Weight364.22 g/mol
Exact Mass362.99
IUPAC Name[1-(5-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCOc1ncc(N2CC(CS(N)(=O)=O)CC2=O)cc1Br
InChIInChI=1S/C11H14BrN3O4S/c1-19-11-9(12)3-8(4-14-11)15-5-7(2-10(15)16)6-20(13,17)18/h3-4,7H,2,5-6H2,1H3,(H2,13,17,18)
InChIKeyFZNZVEMXDNFVFA-UHFFFAOYSA-N
XLogP0.49
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-bromo-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681236
[1-(4-amino-2,5-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682216
[1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680793
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681795
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
[1-(4-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681206
[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-(2,6-dimethoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681244
[1-(4-bromo-2-chloro-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681124
[1-[4-methoxy-3-(trifluoromethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681139

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(5-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681216) is [1-(5-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(5-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(5-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is COc1ncc(N2CC(CS(N)(=O)=O)CC2=O)cc1Br.
What is the InChIKey of [1-(5-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is FZNZVEMXDNFVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O4S/c1-19-11-9(12)3-8(4-14-11)15-5-7(2-10(15)16)6-20(13,17)18/h3-4,7H,2,5-6H2,1H3,(H2,13,17,18).
What are the key properties of [1-(5-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(5-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 364.22 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-6-methoxy-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).