4-[2-(2-phenylethylamino)ethyl]benzenesulfonamide

C16H20N2O2S — CID 17158039

IUPAC4-[2-(2-phenylethylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNCCc2ccccc2)cc1
InChIInChI=1S/C16H20N2O2S/c17-21(19,20)16-8-6-15(7-9-16)11-13-18-12-10-14-4-2-1-3-5-14/h1-9,18H,10-13H2,(H2,17,19,20)
InChIKeySLYNTCCLMFDPHM-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.71
Rot. Bonds7

About 4-[2-(2-phenylethylamino)ethyl]benzenesulfonamide

4-[2-(2-phenylethylamino)ethyl]benzenesulfonamide (PubChem CID 17158039) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-[2-(2-phenylethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-phenylethylamino)ethyl]benzenesulfonamide
PubChem CID17158039
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-[2-(2-phenylethylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNCCc2ccccc2)cc1
InChIInChI=1S/C16H20N2O2S/c17-21(19,20)16-8-6-15(7-9-16)11-13-18-12-10-14-4-2-1-3-5-14/h1-9,18H,10-13H2,(H2,17,19,20)
InChIKeySLYNTCCLMFDPHM-UHFFFAOYSA-N
XLogP1.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-phenylethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(2-phenylethylamino)ethyl]benzenesulfonamide (CID 17158039) is 4-[2-(2-phenylethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(2-phenylethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(2-phenylethylamino)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNCCc2ccccc2)cc1.
What is the InChIKey of 4-[2-(2-phenylethylamino)ethyl]benzenesulfonamide?
The InChIKey is SLYNTCCLMFDPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c17-21(19,20)16-8-6-15(7-9-16)11-13-18-12-10-14-4-2-1-3-5-14/h1-9,18H,10-13H2,(H2,17,19,20).
What are the key properties of 4-[2-(2-phenylethylamino)ethyl]benzenesulfonamide?
4-[2-(2-phenylethylamino)ethyl]benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-phenylethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 17158039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).