1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide

C11H14BrN3O3S — CID 168717881

IUPAC1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1cc(N2CC(S(N)(=O)=O)CC2=O)nc(C)c1Br
InChIInChI=1S/C11H14BrN3O3S/c1-6-3-9(14-7(2)11(6)12)15-5-8(4-10(15)16)19(13,17)18/h3,8H,4-5H2,1-2H3,(H2,13,17,18)
InChIKeyGLCZOJNRJRKHJH-UHFFFAOYSA-N
MW348.22 g/mol
LogP0.85
Rot. Bonds2

About 1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide

1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717881) has the molecular formula C11H14BrN3O3S and a molecular weight of 348.22 g/mol. Its IUPAC name is 1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717881
Molecular FormulaC11H14BrN3O3S
Molecular Weight348.22 g/mol
Exact Mass346.99
IUPAC Name1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1cc(N2CC(S(N)(=O)=O)CC2=O)nc(C)c1Br
InChIInChI=1S/C11H14BrN3O3S/c1-6-3-9(14-7(2)11(6)12)15-5-8(4-10(15)16)19(13,17)18/h3,8H,4-5H2,1-2H3,(H2,13,17,18)
InChIKeyGLCZOJNRJRKHJH-UHFFFAOYSA-N
XLogP0.85
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide (CID 168717881) is 1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide is Cc1cc(N2CC(S(N)(=O)=O)CC2=O)nc(C)c1Br.
What is the InChIKey of 1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is GLCZOJNRJRKHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O3S/c1-6-3-9(14-7(2)11(6)12)15-5-8(4-10(15)16)19(13,17)18/h3,8H,4-5H2,1-2H3,(H2,13,17,18).
What are the key properties of 1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide?
1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 348.22 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).