4-[2-[(3-oxo-3-phenylpropyl)amino]ethyl]benzenesulfonamide

C17H20N2O3S — CID 163360684

IUPAC4-[2-[(3-oxo-3-phenylpropyl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNCCC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O3S/c18-23(21,22)16-8-6-14(7-9-16)10-12-19-13-11-17(20)15-4-2-1-3-5-15/h1-9,19H,10-13H2,(H2,18,21,22)
InChIKeyUJYDTXFJFARKQI-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.74
Rot. Bonds8

About 4-[2-[(3-oxo-3-phenylpropyl)amino]ethyl]benzenesulfonamide

4-[2-[(3-oxo-3-phenylpropyl)amino]ethyl]benzenesulfonamide (PubChem CID 163360684) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-[2-[(3-oxo-3-phenylpropyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(3-oxo-3-phenylpropyl)amino]ethyl]benzenesulfonamide
PubChem CID163360684
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4-[2-[(3-oxo-3-phenylpropyl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNCCC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O3S/c18-23(21,22)16-8-6-14(7-9-16)10-12-19-13-11-17(20)15-4-2-1-3-5-15/h1-9,19H,10-13H2,(H2,18,21,22)
InChIKeyUJYDTXFJFARKQI-UHFFFAOYSA-N
XLogP1.74
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.74
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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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-oxo-3-phenylpropyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(3-oxo-3-phenylpropyl)amino]ethyl]benzenesulfonamide (CID 163360684) is 4-[2-[(3-oxo-3-phenylpropyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(3-oxo-3-phenylpropyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(3-oxo-3-phenylpropyl)amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNCCC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[2-[(3-oxo-3-phenylpropyl)amino]ethyl]benzenesulfonamide?
The InChIKey is UJYDTXFJFARKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c18-23(21,22)16-8-6-14(7-9-16)10-12-19-13-11-17(20)15-4-2-1-3-5-15/h1-9,19H,10-13H2,(H2,18,21,22).
What are the key properties of 4-[2-[(3-oxo-3-phenylpropyl)amino]ethyl]benzenesulfonamide?
4-[2-[(3-oxo-3-phenylpropyl)amino]ethyl]benzenesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-oxo-3-phenylpropyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 163360684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).