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

C15H19N3O2S — CID 60864926

IUPACN-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
SMILESCC(N)c1ccc(NS(=O)(=O)CCc2ccccn2)cc1
InChIInChI=1S/C15H19N3O2S/c1-12(16)13-5-7-15(8-6-13)18-21(19,20)11-9-14-4-2-3-10-17-14/h2-8,10,12,18H,9,11,16H2,1H3
InChIKeyXTZPZZBWYNTDPX-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.09
Rot. Bonds6

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

N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide (PubChem CID 60864926) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
PubChem CID60864926
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
SMILESCC(N)c1ccc(NS(=O)(=O)CCc2ccccn2)cc1
InChIInChI=1S/C15H19N3O2S/c1-12(16)13-5-7-15(8-6-13)18-21(19,20)11-9-14-4-2-3-10-17-14/h2-8,10,12,18H,9,11,16H2,1H3
InChIKeyXTZPZZBWYNTDPX-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-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-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
CID 55026068
N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864371
N-(4-chloro-3-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide
CID 64786737
N-[(1S)-1-naphthalen-2-ylethyl]-2-pyridin-2-ylethanesulfonamide
CID 25038859
N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide
CID 113498094
N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
CID 107158232
N-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864548
N-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864543
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
CID 3667629
N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 62093173
N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 25046012
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylethanesulfonamide
CID 64545476

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide (CID 60864926) is N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide is CC(N)c1ccc(NS(=O)(=O)CCc2ccccn2)cc1.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide?
The InChIKey is XTZPZZBWYNTDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-12(16)13-5-7-15(8-6-13)18-21(19,20)11-9-14-4-2-3-10-17-14/h2-8,10,12,18H,9,11,16H2,1H3.
What are the key properties of N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide?
N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 60864926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).