N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide

C13H22N2O2S — CID 115613329

IUPACN-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide
SMILESCCC(CC)CNS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C13H22N2O2S/c1-3-12(4-2)11-15-18(16,17)10-7-13-5-8-14-9-6-13/h5-6,8-9,12,15H,3-4,7,10-11H2,1-2H3
InChIKeyGMVXYPMSCLBPRG-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.98
Rot. Bonds8

About N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide

N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide (PubChem CID 115613329) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide
PubChem CID115613329
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide
SMILESCCC(CC)CNS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C13H22N2O2S/c1-3-12(4-2)11-15-18(16,17)10-7-13-5-8-14-9-6-13/h5-6,8-9,12,15H,3-4,7,10-11H2,1-2H3
InChIKeyGMVXYPMSCLBPRG-UHFFFAOYSA-N
XLogP1.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(3,3-difluoro-2-hydroxypropyl)-2-pyridin-4-ylethanesulfonamide
CID 113318779
N-methoxy-2-pyridin-4-ylethanesulfonamide
CID 64973891
N-(2-bromoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60890941
N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60892089
4-(2-ethylsulfonylethyl)pyridine
CID 59155282
N-[(E)-4-aminobut-2-enyl]-2-pyridin-4-ylethanesulfonamide
CID 113414890
N-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide
CID 61017540
N-(2-aminobutyl)-2-phenylethanesulfonamide
CID 63731385
N-[[4-(bromomethyl)phenyl]methyl]-2-pyridin-4-ylethanesulfonamide
CID 107233960
N-(5-hydroxy-4-methylpentyl)-2-pyridin-4-ylethanesulfonamide
CID 103858835

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide (CID 115613329) is N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide is CCC(CC)CNS(=O)(=O)CCc1ccncc1.
What is the InChIKey of N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide?
The InChIKey is GMVXYPMSCLBPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-12(4-2)11-15-18(16,17)10-7-13-5-8-14-9-6-13/h5-6,8-9,12,15H,3-4,7,10-11H2,1-2H3.
What are the key properties of N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide?
N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 115613329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).