2-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide

C13H14BrN3O2S — CID 115938117

IUPAC2-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCc1cccc(Br)n1
InChIInChI=1S/C13H14BrN3O2S/c1-15-20(18,19)12-7-3-2-6-11(12)16-9-10-5-4-8-13(14)17-10/h2-8,15-16H,9H2,1H3
InChIKeyUVTBVRVSRBAYHC-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.36
Rot. Bonds5

About 2-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide

2-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 115938117) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide
PubChem CID115938117
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name2-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCc1cccc(Br)n1
InChIInChI=1S/C13H14BrN3O2S/c1-15-20(18,19)12-7-3-2-6-11(12)16-9-10-5-4-8-13(14)17-10/h2-8,15-16H,9H2,1H3
InChIKeyUVTBVRVSRBAYHC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(6-bromo-2-pyridinyl)methyl]-2-ethylsulfonylaniline
CID 115938075
3-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 115937915
N-[(6-bromo-2-pyridinyl)methyl]-2-propan-2-ylaniline
CID 112581724
N-[(6-bromo-2-pyridinyl)methyl]-2-methylsulfanylaniline
CID 112581978
1-N-[(6-bromo-2-pyridinyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 112582054
2-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 62307879
N-[(6-bromo-2-pyridinyl)methyl]-2-fluoro-5-methylsulfonylaniline
CID 115937982
2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 62951903
N-[(6-bromo-2-pyridinyl)methyl]-5-chloro-2-fluoroaniline
CID 112581924
N-methyl-2-(thiophen-2-ylmethylamino)benzenesulfonamide
CID 43383430
2-[(2-methoxy-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 60859341
N-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 62994869

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide (CID 115938117) is 2-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1NCc1cccc(Br)n1.
What is the InChIKey of 2-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is UVTBVRVSRBAYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-15-20(18,19)12-7-3-2-6-11(12)16-9-10-5-4-8-13(14)17-10/h2-8,15-16H,9H2,1H3.
What are the key properties of 2-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide?
2-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide 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 2-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 115938117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).