1-pyridin-2-ylethanesulfonamide

C7H10N2O2S — CID 62085816

IUPAC1-pyridin-2-ylethanesulfonamide
SMILESCC(c1ccccn1)S(N)(=O)=O
InChIInChI=1S/C7H10N2O2S/c1-6(12(8,10)11)7-4-2-3-5-9-7/h2-6H,1H3,(H2,8,10,11)
InChIKeyAEMIFUKXGXILIB-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.43
Rot. Bonds2

About 1-pyridin-2-ylethanesulfonamide

1-pyridin-2-ylethanesulfonamide (PubChem CID 62085816) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 1-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound Name1-pyridin-2-ylethanesulfonamide
PubChem CID62085816
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name1-pyridin-2-ylethanesulfonamide
SMILESCC(c1ccccn1)S(N)(=O)=O
InChIInChI=1S/C7H10N2O2S/c1-6(12(8,10)11)7-4-2-3-5-9-7/h2-6H,1H3,(H2,8,10,11)
InChIKeyAEMIFUKXGXILIB-UHFFFAOYSA-N
XLogP0.43
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylethanesulfonamide?
The IUPAC name of 1-pyridin-2-ylethanesulfonamide (CID 62085816) is 1-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for 1-pyridin-2-ylethanesulfonamide?
The canonical SMILES for 1-pyridin-2-ylethanesulfonamide is CC(c1ccccn1)S(N)(=O)=O.
What is the InChIKey of 1-pyridin-2-ylethanesulfonamide?
The InChIKey is AEMIFUKXGXILIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-6(12(8,10)11)7-4-2-3-5-9-7/h2-6H,1H3,(H2,8,10,11).
What are the key properties of 1-pyridin-2-ylethanesulfonamide?
1-pyridin-2-ylethanesulfonamide has a molecular weight of 186.24 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 62085816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).