1-bromo-N-pyridin-2-ylmethanesulfonamide

C6H7BrN2O2S — CID 83085049

IUPAC1-bromo-N-pyridin-2-ylmethanesulfonamide
SMILESO=S(=O)(CBr)Nc1ccccn1
InChIInChI=1S/C6H7BrN2O2S/c7-5-12(10,11)9-6-3-1-2-4-8-6/h1-4H,5H2,(H,8,9)
InChIKeyNCMXUDFJWXRACJ-UHFFFAOYSA-N
MW251.11 g/mol
LogP1.18
Rot. Bonds3

About 1-bromo-N-pyridin-2-ylmethanesulfonamide

1-bromo-N-pyridin-2-ylmethanesulfonamide (PubChem CID 83085049) has the molecular formula C6H7BrN2O2S and a molecular weight of 251.11 g/mol. Its IUPAC name is 1-bromo-N-pyridin-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-pyridin-2-ylmethanesulfonamide
PubChem CID83085049
Molecular FormulaC6H7BrN2O2S
Molecular Weight251.11 g/mol
Exact Mass249.94
IUPAC Name1-bromo-N-pyridin-2-ylmethanesulfonamide
SMILESO=S(=O)(CBr)Nc1ccccn1
InChIInChI=1S/C6H7BrN2O2S/c7-5-12(10,11)9-6-3-1-2-4-8-6/h1-4H,5H2,(H,8,9)
InChIKeyNCMXUDFJWXRACJ-UHFFFAOYSA-N
XLogP1.18
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-pyridin-2-ylbutane-1-sulfonamide
CID 61456018
1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide
CID 43255711
N-(benzylsulfamoyl)pyridin-2-amine
CID 154490525
N-pyridin-2-ylhexane-3-sulfonamide
CID 170423555
1-bromo-N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 104621211
2-chloro-N-pyridin-2-ylpyridine-3-sulfonamide
CID 43415000
3,5-difluoro-N-pyridin-2-ylbenzenesulfonamide
CID 142789105
4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
CID 68756822
ethane;1-methyl-2-pyridin-2-ylhydrazine
CID 144520197
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
4-amino-N-pyridin-2-ylbenzenesulfonamide;molecular nitrogen
CID 174728998
2,3,5,6-tetramethyl-N-pyridin-2-ylbenzenesulfonamide
CID 2147472

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-pyridin-2-ylmethanesulfonamide?
The IUPAC name of 1-bromo-N-pyridin-2-ylmethanesulfonamide (CID 83085049) is 1-bromo-N-pyridin-2-ylmethanesulfonamide.
What is the SMILES notation for 1-bromo-N-pyridin-2-ylmethanesulfonamide?
The canonical SMILES for 1-bromo-N-pyridin-2-ylmethanesulfonamide is O=S(=O)(CBr)Nc1ccccn1.
What is the InChIKey of 1-bromo-N-pyridin-2-ylmethanesulfonamide?
The InChIKey is NCMXUDFJWXRACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2S/c7-5-12(10,11)9-6-3-1-2-4-8-6/h1-4H,5H2,(H,8,9).
What are the key properties of 1-bromo-N-pyridin-2-ylmethanesulfonamide?
1-bromo-N-pyridin-2-ylmethanesulfonamide has a molecular weight of 251.11 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-pyridin-2-ylmethanesulfonamide is sourced from PubChem (CID 83085049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).