2-[[benzyl(methyl)sulfamoyl]amino]-4-bromopyridine

C13H14BrN3O2S — CID 102822218

IUPAC2-[[benzyl(methyl)sulfamoyl]amino]-4-bromopyridine
SMILESCN(Cc1ccccc1)S(=O)(=O)Nc1cc(Br)ccn1
InChIInChI=1S/C13H14BrN3O2S/c1-17(10-11-5-3-2-4-6-11)20(18,19)16-13-9-12(14)7-8-15-13/h2-9H,10H2,1H3,(H,15,16)
InChIKeyWEURQTCNCWJGKA-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.63
Rot. Bonds5

About 2-[[benzyl(methyl)sulfamoyl]amino]-4-bromopyridine

2-[[benzyl(methyl)sulfamoyl]amino]-4-bromopyridine (PubChem CID 102822218) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-[[benzyl(methyl)sulfamoyl]amino]-4-bromopyridine.

Molecular Properties

Compound Name2-[[benzyl(methyl)sulfamoyl]amino]-4-bromopyridine
PubChem CID102822218
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name2-[[benzyl(methyl)sulfamoyl]amino]-4-bromopyridine
SMILESCN(Cc1ccccc1)S(=O)(=O)Nc1cc(Br)ccn1
InChIInChI=1S/C13H14BrN3O2S/c1-17(10-11-5-3-2-4-6-11)20(18,19)16-13-9-12(14)7-8-15-13/h2-9H,10H2,1H3,(H,15,16)
InChIKeyWEURQTCNCWJGKA-UHFFFAOYSA-N
XLogP2.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[[benzyl(methyl)sulfamoyl]amino]benzene
CID 43602691
4-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine
CID 102820721
N-(4-bromo-2-pyridinyl)-1-(3-cyanophenyl)methanesulfonamide
CID 102822237
N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-sulfonamide
CID 61415701
[methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene
CID 62659313
5-bromo-N-(4-bromo-2-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 102671870
N-(4-bromo-2-pyridinyl)-4-phenylbutanamide
CID 102674174
[2-methoxyethoxysulfamoyl(methyl)amino]methylbenzene
CID 82715155
N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 61067284
[2-(ethylamino)ethylsulfamoyl-methylamino]methylbenzene
CID 62664041
N-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide
CID 102820674
N-(4-bromo-2-pyridinyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327698

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(methyl)sulfamoyl]amino]-4-bromopyridine?
The IUPAC name of 2-[[benzyl(methyl)sulfamoyl]amino]-4-bromopyridine (CID 102822218) is 2-[[benzyl(methyl)sulfamoyl]amino]-4-bromopyridine.
What is the SMILES notation for 2-[[benzyl(methyl)sulfamoyl]amino]-4-bromopyridine?
The canonical SMILES for 2-[[benzyl(methyl)sulfamoyl]amino]-4-bromopyridine is CN(Cc1ccccc1)S(=O)(=O)Nc1cc(Br)ccn1.
What is the InChIKey of 2-[[benzyl(methyl)sulfamoyl]amino]-4-bromopyridine?
The InChIKey is WEURQTCNCWJGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-17(10-11-5-3-2-4-6-11)20(18,19)16-13-9-12(14)7-8-15-13/h2-9H,10H2,1H3,(H,15,16).
What are the key properties of 2-[[benzyl(methyl)sulfamoyl]amino]-4-bromopyridine?
2-[[benzyl(methyl)sulfamoyl]amino]-4-bromopyridine has a molecular weight of 356.25 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(methyl)sulfamoyl]amino]-4-bromopyridine is sourced from PubChem (CID 102822218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).