N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide

C16H20N2O2S — CID 74224453

IUPACN-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)NCCCc1ccccc1
InChIInChI=1S/C16H20N2O2S/c19-21(20,14-11-16-10-4-5-12-17-16)18-13-6-9-15-7-2-1-3-8-15/h1-5,7-8,10,12,18H,6,9,11,13-14H2
InChIKeyGECSAXLUERHCGN-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.18
Rot. Bonds8

About N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide

N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 74224453) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide
PubChem CID74224453
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)NCCCc1ccccc1
InChIInChI=1S/C16H20N2O2S/c19-21(20,14-11-16-10-4-5-12-17-16)18-13-6-9-15-7-2-1-3-8-15/h1-5,7-8,10,12,18H,6,9,11,13-14H2
InChIKeyGECSAXLUERHCGN-UHFFFAOYSA-N
XLogP2.18
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide
CID 63296937
3-chloro-N-(3-phenylpropyl)propane-1-sulfonamide
CID 43654108
N-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
CID 106154324
N-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide
CID 61343078
N-(4-phenylbutan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 25046012
N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide
CID 113498094
N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 25042955
2-(7-phenylheptyl)pyridine
CID 54510986
N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 115365959
N-[(3-cyanophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 47956780
N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 75493390
2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide
CID 114794213

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide (CID 74224453) is N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide is O=S(=O)(CCc1ccccn1)NCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is GECSAXLUERHCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c19-21(20,14-11-16-10-4-5-12-17-16)18-13-6-9-15-7-2-1-3-8-15/h1-5,7-8,10,12,18H,6,9,11,13-14H2.
What are the key properties of N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide?
N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 74224453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).