N-ethyl-2-hydroxy-N-pyridin-4-ylethanesulfonamide

C9H14N2O3S — CID 106936457

IUPACN-ethyl-2-hydroxy-N-pyridin-4-ylethanesulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)CCO
InChIInChI=1S/C9H14N2O3S/c1-2-11(15(13,14)8-7-12)9-3-5-10-6-4-9/h3-6,12H,2,7-8H2,1H3
InChIKeyXTVLXUFVBBBULC-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.23
Rot. Bonds5

About N-ethyl-2-hydroxy-N-pyridin-4-ylethanesulfonamide

N-ethyl-2-hydroxy-N-pyridin-4-ylethanesulfonamide (PubChem CID 106936457) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-N-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-N-pyridin-4-ylethanesulfonamide
PubChem CID106936457
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC NameN-ethyl-2-hydroxy-N-pyridin-4-ylethanesulfonamide
SMILESCCN(c1ccncc1)S(=O)(=O)CCO
InChIInChI=1S/C9H14N2O3S/c1-2-11(15(13,14)8-7-12)9-3-5-10-6-4-9/h3-6,12H,2,7-8H2,1H3
InChIKeyXTVLXUFVBBBULC-UHFFFAOYSA-N
XLogP0.23
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydroxy-N-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-ethyl-2-hydroxy-N-pyridin-4-ylethanesulfonamide (CID 106936457) is N-ethyl-2-hydroxy-N-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-ethyl-2-hydroxy-N-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-ethyl-2-hydroxy-N-pyridin-4-ylethanesulfonamide is CCN(c1ccncc1)S(=O)(=O)CCO.
What is the InChIKey of N-ethyl-2-hydroxy-N-pyridin-4-ylethanesulfonamide?
The InChIKey is XTVLXUFVBBBULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-2-11(15(13,14)8-7-12)9-3-5-10-6-4-9/h3-6,12H,2,7-8H2,1H3.
What are the key properties of N-ethyl-2-hydroxy-N-pyridin-4-ylethanesulfonamide?
N-ethyl-2-hydroxy-N-pyridin-4-ylethanesulfonamide has a molecular weight of 230.29 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxy-N-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 106936457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).