N-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide

C15H18N2O3S — CID 61017540

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccncc1)NCCc1ccc(O)cc1
InChIInChI=1S/C15H18N2O3S/c18-15-3-1-13(2-4-15)7-11-17-21(19,20)12-8-14-5-9-16-10-6-14/h1-6,9-10,17-18H,7-8,11-12H2
InChIKeyWRKMNSFVXGRNNC-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.49
Rot. Bonds7

About N-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide

N-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide (PubChem CID 61017540) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide
PubChem CID61017540
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccncc1)NCCc1ccc(O)cc1
InChIInChI=1S/C15H18N2O3S/c18-15-3-1-13(2-4-15)7-11-17-21(19,20)12-8-14-5-9-16-10-6-14/h1-6,9-10,17-18H,7-8,11-12H2
InChIKeyWRKMNSFVXGRNNC-UHFFFAOYSA-N
XLogP1.49
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60890941
N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60892089
methyl 4-(2-pyridin-4-ylethylsulfamoyl)butanoate
CID 61460662
N-[[4-(bromomethyl)phenyl]methyl]-2-pyridin-4-ylethanesulfonamide
CID 107233960
N-(5-hydroxy-4-methylpentyl)-2-pyridin-4-ylethanesulfonamide
CID 103858835
N'-hydroxy-5-(2-pyridin-4-ylethylsulfonylamino)pentanimidamide
CID 77036641
N-[(E)-4-aminobut-2-enyl]-2-pyridin-4-ylethanesulfonamide
CID 113414890
N-(3,3-difluoro-2-hydroxypropyl)-2-pyridin-4-ylethanesulfonamide
CID 113318779
N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 115613329
N-[2-(4-hydroxyphenyl)ethyl]-2-piperidin-4-ylethanesulfonamide
CID 61236571
1-[2-(dimethylsulfamoylamino)ethyl]-4-hydroxybenzene
CID 61017659
N-methoxy-2-pyridin-4-ylethanesulfonamide
CID 64973891

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide (CID 61017540) is N-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide is O=S(=O)(CCc1ccncc1)NCCc1ccc(O)cc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide?
The InChIKey is WRKMNSFVXGRNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-15-3-1-13(2-4-15)7-11-17-21(19,20)12-8-14-5-9-16-10-6-14/h1-6,9-10,17-18H,7-8,11-12H2.
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide?
N-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 61017540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).