N-(5-hydroxy-4-methylpentyl)-2-pyridin-4-ylethanesulfonamide

C13H22N2O3S — CID 103858835

IUPACN-(5-hydroxy-4-methylpentyl)-2-pyridin-4-ylethanesulfonamide
SMILESCC(CO)CCCNS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C13H22N2O3S/c1-12(11-16)3-2-7-15-19(17,18)10-6-13-4-8-14-9-5-13/h4-5,8-9,12,15-16H,2-3,6-7,10-11H2,1H3
InChIKeyPPRHPTNRLQZKRL-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.95
Rot. Bonds9

About N-(5-hydroxy-4-methylpentyl)-2-pyridin-4-ylethanesulfonamide

N-(5-hydroxy-4-methylpentyl)-2-pyridin-4-ylethanesulfonamide (PubChem CID 103858835) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-2-pyridin-4-ylethanesulfonamide
PubChem CID103858835
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(5-hydroxy-4-methylpentyl)-2-pyridin-4-ylethanesulfonamide
SMILESCC(CO)CCCNS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C13H22N2O3S/c1-12(11-16)3-2-7-15-19(17,18)10-6-13-4-8-14-9-5-13/h4-5,8-9,12,15-16H,2-3,6-7,10-11H2,1H3
InChIKeyPPRHPTNRLQZKRL-UHFFFAOYSA-N
XLogP0.95
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-methylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 66089715
N-(4-amino-2-methylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 66089296
N-(2-bromoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60890941
N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60892089
N-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide
CID 61017540
N'-hydroxy-5-(2-pyridin-4-ylethylsulfonylamino)pentanimidamide
CID 77036641
N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 115613329
N-(5-hydroxy-2,2-dimethylpentyl)-2-pyridin-4-ylethanesulfonamide
CID 103896608
4-(2-chloroethyl)-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103858988
N-(4-hydroxypentan-2-yl)-2-pyridin-4-ylethanesulfonamide
CID 113376640
N-(3,3-difluoro-2-hydroxypropyl)-2-pyridin-4-ylethanesulfonamide
CID 113318779
methyl 4-(2-pyridin-4-ylethylsulfamoyl)butanoate
CID 61460662

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-2-pyridin-4-ylethanesulfonamide (CID 103858835) is N-(5-hydroxy-4-methylpentyl)-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-2-pyridin-4-ylethanesulfonamide is CC(CO)CCCNS(=O)(=O)CCc1ccncc1.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-2-pyridin-4-ylethanesulfonamide?
The InChIKey is PPRHPTNRLQZKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-12(11-16)3-2-7-15-19(17,18)10-6-13-4-8-14-9-5-13/h4-5,8-9,12,15-16H,2-3,6-7,10-11H2,1H3.
What are the key properties of N-(5-hydroxy-4-methylpentyl)-2-pyridin-4-ylethanesulfonamide?
N-(5-hydroxy-4-methylpentyl)-2-pyridin-4-ylethanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 103858835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).