4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide

C12H12BrN3O2S — CID 106192569

IUPAC4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2cccc(Br)n2)cc1
InChIInChI=1S/C12H12BrN3O2S/c13-11-2-1-3-12(16-11)15-8-9-4-6-10(7-5-9)19(14,17)18/h1-7H,8H2,(H,15,16)(H2,14,17,18)
InChIKeyCODOSMLODSQMOB-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.10
Rot. Bonds4

About 4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide

4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide (PubChem CID 106192569) has the molecular formula C12H12BrN3O2S and a molecular weight of 342.22 g/mol. Its IUPAC name is 4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide
PubChem CID106192569
Molecular FormulaC12H12BrN3O2S
Molecular Weight342.22 g/mol
Exact Mass340.98
IUPAC Name4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2cccc(Br)n2)cc1
InChIInChI=1S/C12H12BrN3O2S/c13-11-2-1-3-12(16-11)15-8-9-4-6-10(7-5-9)19(14,17)18/h1-7H,8H2,(H,15,16)(H2,14,17,18)
InChIKeyCODOSMLODSQMOB-UHFFFAOYSA-N
XLogP2.10
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.10
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

4-[(6-bromo-2-pyridinyl)methylamino]benzenesulfonamide
CID 112581748
3-[(6-bromo-2-pyridinyl)amino]propane-1-sulfonamide
CID 63961528
4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 133407312
6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine
CID 63961950
4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide
CID 114475193
4-[(pyrimidin-4-ylamino)methyl]benzenesulfonamide
CID 61253359
6-bromo-N-[(2-bromophenyl)methyl]pyridin-2-amine
CID 63962154
4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
CID 29036567
4-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]benzenesulfonamide
CID 114448052
phenyl N-[2-amino-6-[(4-sulfamoylphenyl)methylamino]-3-pyridinyl]carbamate
CID 110187356
4-[[(4-cyano-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 24692112
4-[[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]methyl]benzenesulfonamide
CID 115576944

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide (CID 106192569) is 4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2cccc(Br)n2)cc1.
What is the InChIKey of 4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide?
The InChIKey is CODOSMLODSQMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S/c13-11-2-1-3-12(16-11)15-8-9-4-6-10(7-5-9)19(14,17)18/h1-7H,8H2,(H,15,16)(H2,14,17,18).
What are the key properties of 4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide?
4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide has a molecular weight of 342.22 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 106192569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).