3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide

C18H18N2O2S — CID 46518023

IUPAC3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NC(C)c3ccccc3)cccc2c1
InChIInChI=1S/C18H18N2O2S/c1-13-11-16-9-6-10-17(18(16)19-12-13)23(21,22)20-14(2)15-7-4-3-5-8-15/h3-12,14,20H,1-2H3
InChIKeyCSEWGDMWSXWDRB-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.58
Rot. Bonds4

About 3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide

3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide (PubChem CID 46518023) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide
PubChem CID46518023
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NC(C)c3ccccc3)cccc2c1
InChIInChI=1S/C18H18N2O2S/c1-13-11-16-9-6-10-17(18(16)19-12-13)23(21,22)20-14(2)15-7-4-3-5-8-15/h3-12,14,20H,1-2H3
InChIKeyCSEWGDMWSXWDRB-UHFFFAOYSA-N
XLogP3.58
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide?
The IUPAC name of 3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide (CID 46518023) is 3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide.
What is the SMILES notation for 3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide?
The canonical SMILES for 3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)NC(C)c3ccccc3)cccc2c1.
What is the InChIKey of 3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide?
The InChIKey is CSEWGDMWSXWDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-13-11-16-9-6-10-17(18(16)19-12-13)23(21,22)20-14(2)15-7-4-3-5-8-15/h3-12,14,20H,1-2H3.
What are the key properties of 3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide?
3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide has a molecular weight of 326.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide is sourced from PubChem (CID 46518023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).