N-(4-hydroxypentan-2-yl)-2-pyridin-4-ylethanesulfonamide

C12H20N2O3S — CID 113376640

IUPACN-(4-hydroxypentan-2-yl)-2-pyridin-4-ylethanesulfonamide
SMILESCC(O)CC(C)NS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C12H20N2O3S/c1-10(9-11(2)15)14-18(16,17)8-5-12-3-6-13-7-4-12/h3-4,6-7,10-11,14-15H,5,8-9H2,1-2H3
InChIKeyKNFYVAYBMLGKJL-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.70
Rot. Bonds7

About N-(4-hydroxypentan-2-yl)-2-pyridin-4-ylethanesulfonamide

N-(4-hydroxypentan-2-yl)-2-pyridin-4-ylethanesulfonamide (PubChem CID 113376640) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(4-hydroxypentan-2-yl)-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxypentan-2-yl)-2-pyridin-4-ylethanesulfonamide
PubChem CID113376640
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(4-hydroxypentan-2-yl)-2-pyridin-4-ylethanesulfonamide
SMILESCC(O)CC(C)NS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C12H20N2O3S/c1-10(9-11(2)15)14-18(16,17)8-5-12-3-6-13-7-4-12/h3-4,6-7,10-11,14-15H,5,8-9H2,1-2H3
InChIKeyKNFYVAYBMLGKJL-UHFFFAOYSA-N
XLogP0.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-3-hydroxy-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid
CID 104965164
methyl 3-methyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoate
CID 60890946
N-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide
CID 60891900
N-methoxy-2-pyridin-4-ylethanesulfonamide
CID 64973891
N-[1-(2-aminophenyl)ethyl]-2-pyridin-4-ylethanesulfonamide
CID 60892670
4-methoxy-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid
CID 62479861
N-(1-aminopentan-2-yl)-2-pyridin-4-ylethanesulfonamide
CID 61133210
4-methylsulfanyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid
CID 60892085
N-(3,3-difluoro-2-hydroxypropyl)-2-pyridin-4-ylethanesulfonamide
CID 113318779
5-methoxy-2-(2-pyridin-4-ylethylsulfonylamino)pentanoic acid
CID 81086349
N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 115613329
N-(5-hydroxy-4-methylpentyl)-2-pyridin-4-ylethanesulfonamide
CID 103858835

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentan-2-yl)-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-(4-hydroxypentan-2-yl)-2-pyridin-4-ylethanesulfonamide (CID 113376640) is N-(4-hydroxypentan-2-yl)-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-(4-hydroxypentan-2-yl)-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-(4-hydroxypentan-2-yl)-2-pyridin-4-ylethanesulfonamide is CC(O)CC(C)NS(=O)(=O)CCc1ccncc1.
What is the InChIKey of N-(4-hydroxypentan-2-yl)-2-pyridin-4-ylethanesulfonamide?
The InChIKey is KNFYVAYBMLGKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10(9-11(2)15)14-18(16,17)8-5-12-3-6-13-7-4-12/h3-4,6-7,10-11,14-15H,5,8-9H2,1-2H3.
What are the key properties of N-(4-hydroxypentan-2-yl)-2-pyridin-4-ylethanesulfonamide?
N-(4-hydroxypentan-2-yl)-2-pyridin-4-ylethanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentan-2-yl)-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 113376640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).