N-pyridin-3-ylmethanesulfonamide

C6H8N2O2S — CID 3844774

IUPACN-pyridin-3-ylmethanesulfonamide
SMILESCS(=O)(=O)Nc1cccnc1
InChIInChI=1S/C6H8N2O2S/c1-11(9,10)8-6-3-2-4-7-5-6/h2-5,8H,1H3
InChIKeyNLEUCCAYZNOCCR-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.45
Rot. Bonds2

About N-pyridin-3-ylmethanesulfonamide

N-pyridin-3-ylmethanesulfonamide (PubChem CID 3844774) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is N-pyridin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-pyridin-3-ylmethanesulfonamide
PubChem CID3844774
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC NameN-pyridin-3-ylmethanesulfonamide
SMILESCS(=O)(=O)Nc1cccnc1
InChIInChI=1S/C6H8N2O2S/c1-11(9,10)8-6-3-2-4-7-5-6/h2-5,8H,1H3
InChIKeyNLEUCCAYZNOCCR-UHFFFAOYSA-N
XLogP0.45
TPSA59.06 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 ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-ylmethanesulfonamide?
The IUPAC name of N-pyridin-3-ylmethanesulfonamide (CID 3844774) is N-pyridin-3-ylmethanesulfonamide.
What is the SMILES notation for N-pyridin-3-ylmethanesulfonamide?
The canonical SMILES for N-pyridin-3-ylmethanesulfonamide is CS(=O)(=O)Nc1cccnc1.
What is the InChIKey of N-pyridin-3-ylmethanesulfonamide?
The InChIKey is NLEUCCAYZNOCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-11(9,10)8-6-3-2-4-7-5-6/h2-5,8H,1H3.
What are the key properties of N-pyridin-3-ylmethanesulfonamide?
N-pyridin-3-ylmethanesulfonamide has a molecular weight of 172.21 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-ylmethanesulfonamide is sourced from PubChem (CID 3844774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).