5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide

C11H13BrClN3O3S — CID 115582918

IUPAC5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
SMILESO=C(CNS(=O)(=O)c1cc(Br)cnc1Cl)N1CCCC1
InChIInChI=1S/C11H13BrClN3O3S/c12-8-5-9(11(13)14-6-8)20(18,19)15-7-10(17)16-3-1-2-4-16/h5-6,15H,1-4,7H2
InChIKeyMWKULWHZAOCJIT-UHFFFAOYSA-N
MW382.67 g/mol
LogP1.40
Rot. Bonds4

About 5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide

5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide (PubChem CID 115582918) has the molecular formula C11H13BrClN3O3S and a molecular weight of 382.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
PubChem CID115582918
Molecular FormulaC11H13BrClN3O3S
Molecular Weight382.67 g/mol
Exact Mass380.95
IUPAC Name5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
SMILESO=C(CNS(=O)(=O)c1cc(Br)cnc1Cl)N1CCCC1
InChIInChI=1S/C11H13BrClN3O3S/c12-8-5-9(11(13)14-6-8)20(18,19)15-7-10(17)16-3-1-2-4-16/h5-6,15H,1-4,7H2
InChIKeyMWKULWHZAOCJIT-UHFFFAOYSA-N
XLogP1.40
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.67
LogP ≤ 51.40
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

methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate
CID 61060282
5-bromo-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 114749964
5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 113313207
2,3-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668267
5-bromo-2-chloro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65035841
5-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102904953
2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide
CID 113405985
3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide
CID 61059689
5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide
CID 114009086
5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide
CID 78966663
5-bromo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid
CID 113406289
5-bromo-2-chloro-N-(3-methylbut-2-enyl)pyridine-3-sulfonamide
CID 103526952

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide (CID 115582918) is 5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide is O=C(CNS(=O)(=O)c1cc(Br)cnc1Cl)N1CCCC1.
What is the InChIKey of 5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
The InChIKey is MWKULWHZAOCJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN3O3S/c12-8-5-9(11(13)14-6-8)20(18,19)15-7-10(17)16-3-1-2-4-16/h5-6,15H,1-4,7H2.
What are the key properties of 5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide has a molecular weight of 382.67 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115582918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).