N-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide

C15H18N2O3S — CID 60891900

IUPACN-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide
SMILESCC(O)c1ccc(NS(=O)(=O)CCc2ccncc2)cc1
InChIInChI=1S/C15H18N2O3S/c1-12(18)14-2-4-15(5-3-14)17-21(19,20)11-8-13-6-9-16-10-7-13/h2-7,9-10,12,17-18H,8,11H2,1H3
InChIKeyAJCXIZXZILWFSZ-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.12
Rot. Bonds6

About N-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide

N-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide (PubChem CID 60891900) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide
PubChem CID60891900
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide
SMILESCC(O)c1ccc(NS(=O)(=O)CCc2ccncc2)cc1
InChIInChI=1S/C15H18N2O3S/c1-12(18)14-2-4-15(5-3-14)17-21(19,20)11-8-13-6-9-16-10-7-13/h2-7,9-10,12,17-18H,8,11H2,1H3
InChIKeyAJCXIZXZILWFSZ-UHFFFAOYSA-N
XLogP2.12
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide
CID 106911099
N-(4-hydroxypentan-2-yl)-2-pyridin-4-ylethanesulfonamide
CID 113376640
N-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide
CID 107583973
4,4,4-trifluoro-N-[4-(1-hydroxyethyl)phenyl]butane-1-sulfonamide
CID 83059273
(2S,3R)-3-hydroxy-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid
CID 104965164
2-ethyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid
CID 79806634
N-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide
CID 112983175
methyl 3-methyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoate
CID 60890946
N-methoxy-2-pyridin-4-ylethanesulfonamide
CID 64973891
N-(3,3-difluoro-2-hydroxypropyl)-2-pyridin-4-ylethanesulfonamide
CID 113318779
N-[3-(hydroxymethyl)pentan-3-yl]-2-pyridin-4-ylethanesulfonamide
CID 62521426
N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 115613329

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide (CID 60891900) is N-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide is CC(O)c1ccc(NS(=O)(=O)CCc2ccncc2)cc1.
What is the InChIKey of N-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide?
The InChIKey is AJCXIZXZILWFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-12(18)14-2-4-15(5-3-14)17-21(19,20)11-8-13-6-9-16-10-7-13/h2-7,9-10,12,17-18H,8,11H2,1H3.
What are the key properties of N-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide?
N-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 60891900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).