5-bromo-N,N-dimethyl-6-pyrrolidin-1-ylpyridine-3-sulfonamide

C11H16BrN3O2S — CID 168940240

IUPAC5-bromo-N,N-dimethyl-6-pyrrolidin-1-ylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1cnc(N2CCCC2)c(Br)c1
InChIInChI=1S/C11H16BrN3O2S/c1-14(2)18(16,17)9-7-10(12)11(13-8-9)15-5-3-4-6-15/h7-8H,3-6H2,1-2H3
InChIKeyBYYMDLKARQANKZ-UHFFFAOYSA-N
MW334.24 g/mol
LogP1.69
Rot. Bonds3

About 5-bromo-N,N-dimethyl-6-pyrrolidin-1-ylpyridine-3-sulfonamide

5-bromo-N,N-dimethyl-6-pyrrolidin-1-ylpyridine-3-sulfonamide (PubChem CID 168940240) has the molecular formula C11H16BrN3O2S and a molecular weight of 334.24 g/mol. Its IUPAC name is 5-bromo-N,N-dimethyl-6-pyrrolidin-1-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N,N-dimethyl-6-pyrrolidin-1-ylpyridine-3-sulfonamide
PubChem CID168940240
Molecular FormulaC11H16BrN3O2S
Molecular Weight334.24 g/mol
Exact Mass333.01
IUPAC Name5-bromo-N,N-dimethyl-6-pyrrolidin-1-ylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1cnc(N2CCCC2)c(Br)c1
InChIInChI=1S/C11H16BrN3O2S/c1-14(2)18(16,17)9-7-10(12)11(13-8-9)15-5-3-4-6-15/h7-8H,3-6H2,1-2H3
InChIKeyBYYMDLKARQANKZ-UHFFFAOYSA-N
XLogP1.69
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-fluoro-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide
CID 170658251
6-(4-hydroxy-4-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103761642
8-(3,5-dibromo-2-pyridinyl)-8-azaspiro[4.5]decane
CID 113413836
1-(3-bromo-5-chloro-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 171690791
3-bromo-N,N-dimethyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 168940806
3-N,3-N,6-N,6-N-tetramethylquinoline-3,6-disulfonamide
CID 139226947
1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 103340811
1-(3-bromo-5-chloro-2-pyridinyl)-4-methylazepan-4-ol
CID 107407312
3-bromo-2-pyrrolidin-1-ylpyridine
CID 46739525
4-tert-butyl-1-(3,5-dibromo-2-pyridinyl)azepane
CID 113413840
6-(4-chloro-3-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103341441
3-bromo-5-chloro-2-(3,3-dimethylpiperidin-1-yl)pyridine
CID 114837131

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-dimethyl-6-pyrrolidin-1-ylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N,N-dimethyl-6-pyrrolidin-1-ylpyridine-3-sulfonamide (CID 168940240) is 5-bromo-N,N-dimethyl-6-pyrrolidin-1-ylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N,N-dimethyl-6-pyrrolidin-1-ylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N,N-dimethyl-6-pyrrolidin-1-ylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1cnc(N2CCCC2)c(Br)c1.
What is the InChIKey of 5-bromo-N,N-dimethyl-6-pyrrolidin-1-ylpyridine-3-sulfonamide?
The InChIKey is BYYMDLKARQANKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2S/c1-14(2)18(16,17)9-7-10(12)11(13-8-9)15-5-3-4-6-15/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-bromo-N,N-dimethyl-6-pyrrolidin-1-ylpyridine-3-sulfonamide?
5-bromo-N,N-dimethyl-6-pyrrolidin-1-ylpyridine-3-sulfonamide has a molecular weight of 334.24 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-dimethyl-6-pyrrolidin-1-ylpyridine-3-sulfonamide is sourced from PubChem (CID 168940240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).