(6-bromo-2-pyridinyl)methanesulfonamide

C6H7BrN2O2S — CID 87411302

IUPAC(6-bromo-2-pyridinyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1cccc(Br)n1
InChIInChI=1S/C6H7BrN2O2S/c7-6-3-1-2-5(9-6)4-12(8,10)11/h1-3H,4H2,(H2,8,10,11)
InChIKeyHBPUJAGLYNGGKK-UHFFFAOYSA-N
MW251.10 g/mol
LogP0.63
Rot. Bonds2

About (6-bromo-2-pyridinyl)methanesulfonamide

(6-bromo-2-pyridinyl)methanesulfonamide (PubChem CID 87411302) has the molecular formula C6H7BrN2O2S and a molecular weight of 251.10 g/mol. Its IUPAC name is (6-bromo-2-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Name(6-bromo-2-pyridinyl)methanesulfonamide
PubChem CID87411302
Molecular FormulaC6H7BrN2O2S
Molecular Weight251.10 g/mol
Exact Mass249.94
IUPAC Name(6-bromo-2-pyridinyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1cccc(Br)n1
InChIInChI=1S/C6H7BrN2O2S/c7-6-3-1-2-5(9-6)4-12(8,10)11/h1-3H,4H2,(H2,8,10,11)
InChIKeyHBPUJAGLYNGGKK-UHFFFAOYSA-N
XLogP0.63
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.10
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-6-methylpyridine
CID 79205
2-Bromo-6-(bromomethyl)pyridine
CID 12954796
6-Bromopyridine-2-sulfonyl chloride
CID 44558096
2-bromo-6-[(E)-2-[[(E)-2-(6-bromo-2-pyridyl)vinyl]sulfonylmethylsulfonyl]vinyl]pyridine
CID 16077313
US10577367, Example 141
CID 118664062
6-Bromopyridine-2-sulfonamide
CID 57345816
(5-Bromopyridin-2-yl)methanesulfonamide
CID 112639870
2-Bromo-6-methylpyridine-3-sulfonyl chloride
CID 116684753
2-Bromo-6-(bromomethyl)pyridine hydrobromide
CID 73012524
5-Bromo-6-methylpyridine-2-sulfonylfluoride
CID 137945790
2-Bromo-6-(dibromomethyl)pyridine
CID 11716914
2-Bromo-6-ethenylpyridine
CID 25107602

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-pyridinyl)methanesulfonamide?
The IUPAC name of (6-bromo-2-pyridinyl)methanesulfonamide (CID 87411302) is (6-bromo-2-pyridinyl)methanesulfonamide.
What is the SMILES notation for (6-bromo-2-pyridinyl)methanesulfonamide?
The canonical SMILES for (6-bromo-2-pyridinyl)methanesulfonamide is NS(=O)(=O)Cc1cccc(Br)n1.
What is the InChIKey of (6-bromo-2-pyridinyl)methanesulfonamide?
The InChIKey is HBPUJAGLYNGGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2S/c7-6-3-1-2-5(9-6)4-12(8,10)11/h1-3H,4H2,(H2,8,10,11).
What are the key properties of (6-bromo-2-pyridinyl)methanesulfonamide?
(6-bromo-2-pyridinyl)methanesulfonamide has a molecular weight of 251.10 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-pyridinyl)methanesulfonamide is sourced from PubChem (CID 87411302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).