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

C10H11BrClN3O3S — CID 168682854

IUPAC[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ncc(Cl)cc2Br)C1
InChIInChI=1S/C10H11BrClN3O3S/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)
InChIKeyWDOQLRVOZWBKNG-UHFFFAOYSA-N
MW368.64 g/mol
LogP1.14
Rot. Bonds3

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

[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168682854) has the molecular formula C10H11BrClN3O3S and a molecular weight of 368.64 g/mol. Its IUPAC name is [1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168682854
Molecular FormulaC10H11BrClN3O3S
Molecular Weight368.64 g/mol
Exact Mass366.94
IUPAC Name[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CC(=O)N(c2ncc(Cl)cc2Br)C1
InChIInChI=1S/C10H11BrClN3O3S/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)
InChIKeyWDOQLRVOZWBKNG-UHFFFAOYSA-N
XLogP1.14
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.64
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168682854) is [1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CC(=O)N(c2ncc(Cl)cc2Br)C1.
What is the InChIKey of [1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is WDOQLRVOZWBKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3O3S/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-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 368.64 g/mol, XLogP of 1.14, 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-chloro-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168682854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).