pyridin-2-ylmethanesulfonamide

C6H8N2O2S — CID 18680380

IUPACpyridin-2-ylmethanesulfonamide
SMILESNS(=O)(=O)Cc1ccccn1
InChIInChI=1S/C6H8N2O2S/c7-11(9,10)5-6-3-1-2-4-8-6/h1-4H,5H2,(H2,7,9,10)
InChIKeyYNRCVVBNEPJYOF-UHFFFAOYSA-N
MW172.21 g/mol
LogP-0.13
Rot. Bonds2

About pyridin-2-ylmethanesulfonamide

pyridin-2-ylmethanesulfonamide (PubChem CID 18680380) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is pyridin-2-ylmethanesulfonamide.

Molecular Properties

Compound Namepyridin-2-ylmethanesulfonamide
PubChem CID18680380
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Namepyridin-2-ylmethanesulfonamide
SMILESNS(=O)(=O)Cc1ccccn1
InChIInChI=1S/C6H8N2O2S/c7-11(9,10)5-6-3-1-2-4-8-6/h1-4H,5H2,(H2,7,9,10)
InChIKeyYNRCVVBNEPJYOF-UHFFFAOYSA-N
XLogP-0.13
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethanesulfonamide?
The IUPAC name of pyridin-2-ylmethanesulfonamide (CID 18680380) is pyridin-2-ylmethanesulfonamide.
What is the SMILES notation for pyridin-2-ylmethanesulfonamide?
The canonical SMILES for pyridin-2-ylmethanesulfonamide is NS(=O)(=O)Cc1ccccn1.
What is the InChIKey of pyridin-2-ylmethanesulfonamide?
The InChIKey is YNRCVVBNEPJYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c7-11(9,10)5-6-3-1-2-4-8-6/h1-4H,5H2,(H2,7,9,10).
What are the key properties of pyridin-2-ylmethanesulfonamide?
pyridin-2-ylmethanesulfonamide has a molecular weight of 172.21 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethanesulfonamide is sourced from PubChem (CID 18680380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).