1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide

C10H12BrN3O3S — CID 168718330

IUPAC1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(Cc2ccc(Br)nc2)C1
InChIInChI=1S/C10H12BrN3O3S/c11-9-2-1-7(4-13-9)5-14-6-8(3-10(14)15)18(12,16)17/h1-2,4,8H,3,5-6H2,(H2,12,16,17)
InChIKeyONEKKKFGMPFPDC-UHFFFAOYSA-N
MW334.20 g/mol
LogP0.23
Rot. Bonds3

About 1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide

1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718330) has the molecular formula C10H12BrN3O3S and a molecular weight of 334.20 g/mol. Its IUPAC name is 1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718330
Molecular FormulaC10H12BrN3O3S
Molecular Weight334.20 g/mol
Exact Mass332.98
IUPAC Name1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(Cc2ccc(Br)nc2)C1
InChIInChI=1S/C10H12BrN3O3S/c11-9-2-1-7(4-13-9)5-14-6-8(3-10(14)15)18(12,16)17/h1-2,4,8H,3,5-6H2,(H2,12,16,17)
InChIKeyONEKKKFGMPFPDC-UHFFFAOYSA-N
XLogP0.23
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697385
5-oxo-1-(quinolin-3-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718375
5-oxo-1-(pyrazin-2-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718437
1-[(2-bromo-5-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718297
1-[(4-chloro-2-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718434
S-[[1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667761
1-(1-benzofuran-5-ylmethyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718315
5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718383
1-[(5-bromo-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717385
1-[(5-methylthiophen-2-yl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717902
1-(3-amino-6-bromopyrazin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719062
1-[(2-chloro-3-fluorophenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718393

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide (CID 168718330) is 1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(Cc2ccc(Br)nc2)C1.
What is the InChIKey of 1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is ONEKKKFGMPFPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O3S/c11-9-2-1-7(4-13-9)5-14-6-8(3-10(14)15)18(12,16)17/h1-2,4,8H,3,5-6H2,(H2,12,16,17).
What are the key properties of 1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide?
1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 334.20 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).