2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide

C12H14BrN3O2S2 — CID 79487909

IUPAC2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H14BrN3O2S2/c1-16(5-4-10-3-2-6-19-10)20(17,18)11-7-9(13)8-15-12(11)14/h2-3,6-8H,4-5H2,1H3,(H2,14,15)
InChIKeyFHTVVYARGAGLOW-UHFFFAOYSA-N
MW376.30 g/mol
LogP2.35
Rot. Bonds5

About 2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide

2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide (PubChem CID 79487909) has the molecular formula C12H14BrN3O2S2 and a molecular weight of 376.30 g/mol. Its IUPAC name is 2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
PubChem CID79487909
Molecular FormulaC12H14BrN3O2S2
Molecular Weight376.30 g/mol
Exact Mass374.97
IUPAC Name2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H14BrN3O2S2/c1-16(5-4-10-3-2-6-19-10)20(17,18)11-7-9(13)8-15-12(11)14/h2-3,6-8H,4-5H2,1H3,(H2,14,15)
InChIKeyFHTVVYARGAGLOW-UHFFFAOYSA-N
XLogP2.35
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79476559
2-amino-5-bromo-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 62158319
2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)furan-3-sulfonamide
CID 79488126
2-amino-5-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
CID 63295984
2,4-dimethoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110733479
N,2-dimethyl-5-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 79489921
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)ethanesulfonamide
CID 79019425
3-(aminomethyl)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79489922
3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79475968
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 79488304
4-methyl-3-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzoic acid
CID 146121375
5-amino-N-methyl-4-nitro-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 80728258

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide (CID 79487909) is 2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide is CN(CCc1cccs1)S(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide?
The InChIKey is FHTVVYARGAGLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S2/c1-16(5-4-10-3-2-6-19-10)20(17,18)11-7-9(13)8-15-12(11)14/h2-3,6-8H,4-5H2,1H3,(H2,14,15).
What are the key properties of 2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide has a molecular weight of 376.30 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 79487909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).