N-(2-phenylethyl)quinoline-8-sulfonamide

C17H16N2O2S — CID 795774

IUPACN-(2-phenylethyl)quinoline-8-sulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C17H16N2O2S/c20-22(21,19-13-11-14-6-2-1-3-7-14)16-10-4-8-15-9-5-12-18-17(15)16/h1-10,12,19H,11,13H2
InChIKeyQICUYIIUAGOVPO-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.76
Rot. Bonds5

About N-(2-phenylethyl)quinoline-8-sulfonamide

N-(2-phenylethyl)quinoline-8-sulfonamide (PubChem CID 795774) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2-phenylethyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2-phenylethyl)quinoline-8-sulfonamide
PubChem CID795774
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(2-phenylethyl)quinoline-8-sulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C17H16N2O2S/c20-22(21,19-13-11-14-6-2-1-3-7-14)16-10-4-8-15-9-5-12-18-17(15)16/h1-10,12,19H,11,13H2
InChIKeyQICUYIIUAGOVPO-UHFFFAOYSA-N
XLogP2.76
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)quinoline-8-sulfonamide?
The IUPAC name of N-(2-phenylethyl)quinoline-8-sulfonamide (CID 795774) is N-(2-phenylethyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(2-phenylethyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(2-phenylethyl)quinoline-8-sulfonamide is O=S(=O)(NCCc1ccccc1)c1cccc2cccnc12.
What is the InChIKey of N-(2-phenylethyl)quinoline-8-sulfonamide?
The InChIKey is QICUYIIUAGOVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c20-22(21,19-13-11-14-6-2-1-3-7-14)16-10-4-8-15-9-5-12-18-17(15)16/h1-10,12,19H,11,13H2.
What are the key properties of N-(2-phenylethyl)quinoline-8-sulfonamide?
N-(2-phenylethyl)quinoline-8-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)quinoline-8-sulfonamide is sourced from PubChem (CID 795774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).