6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide

C13H14BrN3O2S — CID 133304167

IUPAC6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccccc2Br)nc1
InChIInChI=1S/C13H14BrN3O2S/c1-15-20(18,19)11-6-7-13(17-9-11)16-8-10-4-2-3-5-12(10)14/h2-7,9,15H,8H2,1H3,(H,16,17)
InChIKeyGADKMTRYEJBJHG-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.36
Rot. Bonds5

About 6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide

6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide (PubChem CID 133304167) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide
PubChem CID133304167
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccccc2Br)nc1
InChIInChI=1S/C13H14BrN3O2S/c1-15-20(18,19)11-6-7-13(17-9-11)16-8-10-4-2-3-5-12(10)14/h2-7,9,15H,8H2,1H3,(H,16,17)
InChIKeyGADKMTRYEJBJHG-UHFFFAOYSA-N
XLogP2.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromophenyl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 61413876
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133304263
N-methyl-6-(naphthalen-2-ylmethylamino)pyridine-3-sulfonamide
CID 133299071
N-[(2-bromophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62157229
4-amino-3-[(2-bromophenyl)methylamino]-N-methylbenzenesulfonamide
CID 82900167
6-[(4-cyanophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133346456
6-(ethylamino)-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62147749
N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 61413923
N-[(2-bromophenyl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 61414020
2-methyl-N-[3-[[[5-(methylsulfamoyl)-2-pyridinyl]amino]methyl]phenyl]butanamide
CID 133297158
N-methyl-6-[(4-morpholin-4-ylphenyl)methylamino]pyridine-3-sulfonamide
CID 133298461

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide (CID 133304167) is 6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(NCc2ccccc2Br)nc1.
What is the InChIKey of 6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide?
The InChIKey is GADKMTRYEJBJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-15-20(18,19)11-6-7-13(17-9-11)16-8-10-4-2-3-5-12(10)14/h2-7,9,15H,8H2,1H3,(H,16,17).
What are the key properties of 6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide?
6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide has a molecular weight of 356.25 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 133304167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).