[1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C10H11BrFN3O3S — CID 168682857

IUPAC[1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ncc(F)cc2Br)C1
InChIInChI=1S/C10H11BrFN3O3S/c11-8-2-7(12)3-14-10(8)15-4-6(1-9(15)16)5-19(13,17)18/h2-3,6H,1,4-5H2,(H2,13,17,18)
InChIKeyNLFJSCMRUGPHOB-UHFFFAOYSA-N
MW352.19 g/mol
LogP0.62
Rot. Bonds3

About [1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168682857) has the molecular formula C10H11BrFN3O3S and a molecular weight of 352.19 g/mol. Its IUPAC name is [1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168682857
Molecular FormulaC10H11BrFN3O3S
Molecular Weight352.19 g/mol
Exact Mass350.97
IUPAC Name[1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ncc(F)cc2Br)C1
InChIInChI=1S/C10H11BrFN3O3S/c11-8-2-7(12)3-14-10(8)15-4-6(1-9(15)16)5-19(13,17)18/h2-3,6H,1,4-5H2,(H2,13,17,18)
InChIKeyNLFJSCMRUGPHOB-UHFFFAOYSA-N
XLogP0.62
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 168660978
[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682854
[1-(5-bromo-3-hydroxy-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682336
[1-(3,5-dibromo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677358
[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677367
[1-(5-chloro-3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682856
[1-(4-bromo-6-fluoro-1,3-benzothiazol-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682885
[1-(2-amino-4-bromo-5-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682321
[1-(4-amino-2,5-dibromo-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682216
[1-(6-fluoro-4-methyl-3-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681619
[1-(2-fluoro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683056
[1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682427

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168682857) is [1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2ncc(F)cc2Br)C1.
What is the InChIKey of [1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is NLFJSCMRUGPHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN3O3S/c11-8-2-7(12)3-14-10(8)15-4-6(1-9(15)16)5-19(13,17)18/h2-3,6H,1,4-5H2,(H2,13,17,18).
What are the key properties of [1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 352.19 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-5-fluoro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168682857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).