2-[(6-bromo-2-pyridinyl)methylamino]ethanesulfonamide

C8H12BrN3O2S — CID 112581934

IUPAC2-[(6-bromo-2-pyridinyl)methylamino]ethanesulfonamide
SMILESNS(=O)(=O)CCNCc1cccc(Br)n1
InChIInChI=1S/C8H12BrN3O2S/c9-8-3-1-2-7(12-8)6-11-4-5-15(10,13)14/h1-3,11H,4-6H2,(H2,10,13,14)
InChIKeyBDPGECXCNIVBGG-UHFFFAOYSA-N
MW294.17 g/mol
LogP0.22
Rot. Bonds5

About 2-[(6-bromo-2-pyridinyl)methylamino]ethanesulfonamide

2-[(6-bromo-2-pyridinyl)methylamino]ethanesulfonamide (PubChem CID 112581934) has the molecular formula C8H12BrN3O2S and a molecular weight of 294.17 g/mol. Its IUPAC name is 2-[(6-bromo-2-pyridinyl)methylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(6-bromo-2-pyridinyl)methylamino]ethanesulfonamide
PubChem CID112581934
Molecular FormulaC8H12BrN3O2S
Molecular Weight294.17 g/mol
Exact Mass292.98
IUPAC Name2-[(6-bromo-2-pyridinyl)methylamino]ethanesulfonamide
SMILESNS(=O)(=O)CCNCc1cccc(Br)n1
InChIInChI=1S/C8H12BrN3O2S/c9-8-3-1-2-7(12-8)6-11-4-5-15(10,13)14/h1-3,11H,4-6H2,(H2,10,13,14)
InChIKeyBDPGECXCNIVBGG-UHFFFAOYSA-N
XLogP0.22
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(6-bromo-2-pyridinyl)methylamino]ethyl]methanesulfonamide
CID 112581880
3-[(6-bromo-2-pyridinyl)methylamino]propanoic acid
CID 112581911
4-[(6-bromo-2-pyridinyl)methylamino]butan-1-ol
CID 106840570
3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide
CID 63961528
N-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine
CID 91610818
2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide
CID 80702043
4-[(6-bromo-2-pyridinyl)methylamino]benzenesulfonamide
CID 112581748
N-[(6-bromo-2-pyridinyl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 112582147
(6-bromo-2-pyridinyl)methylcarbamic acid
CID 87415721
1-(6-bromo-2-pyridinyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 112582414
N-[(6-bromo-2-pyridinyl)methyl]-1-(4-chlorophenyl)methanamine
CID 112581883
4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol
CID 115978503

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-2-pyridinyl)methylamino]ethanesulfonamide?
The IUPAC name of 2-[(6-bromo-2-pyridinyl)methylamino]ethanesulfonamide (CID 112581934) is 2-[(6-bromo-2-pyridinyl)methylamino]ethanesulfonamide.
What is the SMILES notation for 2-[(6-bromo-2-pyridinyl)methylamino]ethanesulfonamide?
The canonical SMILES for 2-[(6-bromo-2-pyridinyl)methylamino]ethanesulfonamide is NS(=O)(=O)CCNCc1cccc(Br)n1.
What is the InChIKey of 2-[(6-bromo-2-pyridinyl)methylamino]ethanesulfonamide?
The InChIKey is BDPGECXCNIVBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2S/c9-8-3-1-2-7(12-8)6-11-4-5-15(10,13)14/h1-3,11H,4-6H2,(H2,10,13,14).
What are the key properties of 2-[(6-bromo-2-pyridinyl)methylamino]ethanesulfonamide?
2-[(6-bromo-2-pyridinyl)methylamino]ethanesulfonamide has a molecular weight of 294.17 g/mol, XLogP of 0.22, 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]ethanesulfonamide is sourced from PubChem (CID 112581934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).