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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Related Compounds

3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
3-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]quinoline-8-sulfonamide
CID 36530929
N-benzyl-3-methylquinoline-8-sulfonamide
CID 33345852
N-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide
CID 104981956
3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide
CID 62663890
1-N,5-N-bis[(1S)-1-phenylethyl]naphthalene-1,5-disulfonamide
CID 1274088
3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide
CID 94799039
N'-(4,6-dimethylpyrimidin-2-yl)-3-methylquinoline-8-sulfonohydrazide
CID 30746930
N-(2-amino-1-cyclopropylethyl)-3-methylquinoline-8-sulfonamide;hydrochloride
CID 119986825
3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]quinoline-8-sulfonamide
CID 42960750
N-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide
CID 120585099
4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid
CID 120660685

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).