(5-bromo-2-pyridinyl)methanesulfonamide

C6H7BrN2O2S — CID 112639870

IUPAC(5-bromo-2-pyridinyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(Br)cn1
InChIInChI=1S/C6H7BrN2O2S/c7-5-1-2-6(9-3-5)4-12(8,10)11/h1-3H,4H2,(H2,8,10,11)
InChIKeyLIFDDHBEVINYKM-UHFFFAOYSA-N
MW251.10 g/mol
LogP0.63
Rot. Bonds2

About (5-bromo-2-pyridinyl)methanesulfonamide

(5-bromo-2-pyridinyl)methanesulfonamide (PubChem CID 112639870) has the molecular formula C6H7BrN2O2S and a molecular weight of 251.10 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)methanesulfonamide
PubChem CID112639870
Molecular FormulaC6H7BrN2O2S
Molecular Weight251.10 g/mol
Exact Mass249.94
IUPAC Name(5-bromo-2-pyridinyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(Br)cn1
InChIInChI=1S/C6H7BrN2O2S/c7-5-1-2-6(9-3-5)4-12(8,10)11/h1-3H,4H2,(H2,8,10,11)
InChIKeyLIFDDHBEVINYKM-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

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)methanesulfonamide?
The IUPAC name of (5-bromo-2-pyridinyl)methanesulfonamide (CID 112639870) is (5-bromo-2-pyridinyl)methanesulfonamide.
What is the SMILES notation for (5-bromo-2-pyridinyl)methanesulfonamide?
The canonical SMILES for (5-bromo-2-pyridinyl)methanesulfonamide is NS(=O)(=O)Cc1ccc(Br)cn1.
What is the InChIKey of (5-bromo-2-pyridinyl)methanesulfonamide?
The InChIKey is LIFDDHBEVINYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2S/c7-5-1-2-6(9-3-5)4-12(8,10)11/h1-3H,4H2,(H2,8,10,11).
What are the key properties of (5-bromo-2-pyridinyl)methanesulfonamide?
(5-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 (5-bromo-2-pyridinyl)methanesulfonamide is sourced from PubChem (CID 112639870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).