2-pyridin-4-ylethanesulfonamide

C7H10N2O2S — CID 54039465

IUPAC2-pyridin-4-ylethanesulfonamide
SMILESNS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C7H10N2O2S/c8-12(10,11)6-3-7-1-4-9-5-2-7/h1-2,4-5H,3,6H2,(H2,8,10,11)
InChIKeyLLHXCEBLNHEFEU-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.09
Rot. Bonds3

About 2-pyridin-4-ylethanesulfonamide

2-pyridin-4-ylethanesulfonamide (PubChem CID 54039465) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound Name2-pyridin-4-ylethanesulfonamide
PubChem CID54039465
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-pyridin-4-ylethanesulfonamide
SMILESNS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C7H10N2O2S/c8-12(10,11)6-3-7-1-4-9-5-2-7/h1-2,4-5H,3,6H2,(H2,8,10,11)
InChIKeyLLHXCEBLNHEFEU-UHFFFAOYSA-N
XLogP-0.09
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylethanesulfonamide?
The IUPAC name of 2-pyridin-4-ylethanesulfonamide (CID 54039465) is 2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for 2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for 2-pyridin-4-ylethanesulfonamide is NS(=O)(=O)CCc1ccncc1.
What is the InChIKey of 2-pyridin-4-ylethanesulfonamide?
The InChIKey is LLHXCEBLNHEFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c8-12(10,11)6-3-7-1-4-9-5-2-7/h1-2,4-5H,3,6H2,(H2,8,10,11).
What are the key properties of 2-pyridin-4-ylethanesulfonamide?
2-pyridin-4-ylethanesulfonamide has a molecular weight of 186.24 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 54039465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).