N-[1-(2-aminophenyl)ethyl]-2-pyridin-4-ylethanesulfonamide

C15H19N3O2S — CID 60892670

IUPACN-[1-(2-aminophenyl)ethyl]-2-pyridin-4-ylethanesulfonamide
SMILESCC(NS(=O)(=O)CCc1ccncc1)c1ccccc1N
InChIInChI=1S/C15H19N3O2S/c1-12(14-4-2-3-5-15(14)16)18-21(19,20)11-8-13-6-9-17-10-7-13/h2-7,9-10,12,18H,8,11,16H2,1H3
InChIKeyGQZOJMDSONZPFV-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.89
Rot. Bonds6

About N-[1-(2-aminophenyl)ethyl]-2-pyridin-4-ylethanesulfonamide

N-[1-(2-aminophenyl)ethyl]-2-pyridin-4-ylethanesulfonamide (PubChem CID 60892670) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]-2-pyridin-4-ylethanesulfonamide
PubChem CID60892670
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[1-(2-aminophenyl)ethyl]-2-pyridin-4-ylethanesulfonamide
SMILESCC(NS(=O)(=O)CCc1ccncc1)c1ccccc1N
InChIInChI=1S/C15H19N3O2S/c1-12(14-4-2-3-5-15(14)16)18-21(19,20)11-8-13-6-9-17-10-7-13/h2-7,9-10,12,18H,8,11,16H2,1H3
InChIKeyGQZOJMDSONZPFV-UHFFFAOYSA-N
XLogP1.89
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-aminophenyl)ethyl]butane-1-sulfonamide
CID 43298052
methyl 2-[1-(2-aminophenyl)ethylsulfamoyl]acetate
CID 54952516
methyl 3-methyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoate
CID 60890946
N-(4-hydroxypentan-2-yl)-2-pyridin-4-ylethanesulfonamide
CID 113376640
(2S,3R)-3-hydroxy-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid
CID 104965164
N-(1-aminopentan-2-yl)-2-pyridin-4-ylethanesulfonamide
CID 61133210
N-methoxy-2-pyridin-4-ylethanesulfonamide
CID 64973891
N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide
CID 63258916
N-(4-amino-2-methylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 66089296
N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-sulfonamide
CID 104709386
N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60892089
N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 115613329

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]-2-pyridin-4-ylethanesulfonamide (CID 60892670) is N-[1-(2-aminophenyl)ethyl]-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]-2-pyridin-4-ylethanesulfonamide is CC(NS(=O)(=O)CCc1ccncc1)c1ccccc1N.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]-2-pyridin-4-ylethanesulfonamide?
The InChIKey is GQZOJMDSONZPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-12(14-4-2-3-5-15(14)16)18-21(19,20)11-8-13-6-9-17-10-7-13/h2-7,9-10,12,18H,8,11,16H2,1H3.
What are the key properties of N-[1-(2-aminophenyl)ethyl]-2-pyridin-4-ylethanesulfonamide?
N-[1-(2-aminophenyl)ethyl]-2-pyridin-4-ylethanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 60892670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).