N-(6-methylquinolin-8-yl)-2-phenylethanesulfonamide

C18H18N2O2S — CID 110715599

IUPACN-(6-methylquinolin-8-yl)-2-phenylethanesulfonamide
SMILESCc1cc(NS(=O)(=O)CCc2ccccc2)c2ncccc2c1
InChIInChI=1S/C18H18N2O2S/c1-14-12-16-8-5-10-19-18(16)17(13-14)20-23(21,22)11-9-15-6-3-2-4-7-15/h2-8,10,12-13,20H,9,11H2,1H3
InChIKeyPGFHVFREODCVQV-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.53
Rot. Bonds5

About N-(6-methylquinolin-8-yl)-2-phenylethanesulfonamide

N-(6-methylquinolin-8-yl)-2-phenylethanesulfonamide (PubChem CID 110715599) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(6-methylquinolin-8-yl)-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(6-methylquinolin-8-yl)-2-phenylethanesulfonamide
PubChem CID110715599
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(6-methylquinolin-8-yl)-2-phenylethanesulfonamide
SMILESCc1cc(NS(=O)(=O)CCc2ccccc2)c2ncccc2c1
InChIInChI=1S/C18H18N2O2S/c1-14-12-16-8-5-10-19-18(16)17(13-14)20-23(21,22)11-9-15-6-3-2-4-7-15/h2-8,10,12-13,20H,9,11H2,1H3
InChIKeyPGFHVFREODCVQV-UHFFFAOYSA-N
XLogP3.53
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-methylquinolin-8-yl)methanesulfonamide
CID 110715581
3-(2-phenylethylsulfonylamino)pyridine-2-carboxylic acid
CID 104740639
N-(2-hydroxy-4-methylphenyl)-2-phenylethanesulfonamide
CID 80686702
4-methoxy-3-methyl-N-(6-methylquinolin-8-yl)benzenesulfonamide
CID 110715588
N-(4-hydroxy-2-methylphenyl)-2-phenylethanesulfonamide
CID 79001394
6-methyl-N-(2-methylphenyl)quinoline-8-sulfonamide
CID 7304307
N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-phenylethanesulfonamide
CID 71920934
N-(6-methylquinolin-8-yl)-2-phenoxyacetamide
CID 110715572
N-(2-iodophenyl)-2-phenylethanesulfonamide
CID 47177540
N-(2-bromo-4-chlorophenyl)-2-phenylethanesulfonamide
CID 80970637
N-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide
CID 114052143
N-(3,6-dimethylquinolin-8-yl)benzenesulfonamide
CID 169225091

Frequently Asked Questions

What is the IUPAC name of N-(6-methylquinolin-8-yl)-2-phenylethanesulfonamide?
The IUPAC name of N-(6-methylquinolin-8-yl)-2-phenylethanesulfonamide (CID 110715599) is N-(6-methylquinolin-8-yl)-2-phenylethanesulfonamide.
What is the SMILES notation for N-(6-methylquinolin-8-yl)-2-phenylethanesulfonamide?
The canonical SMILES for N-(6-methylquinolin-8-yl)-2-phenylethanesulfonamide is Cc1cc(NS(=O)(=O)CCc2ccccc2)c2ncccc2c1.
What is the InChIKey of N-(6-methylquinolin-8-yl)-2-phenylethanesulfonamide?
The InChIKey is PGFHVFREODCVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-14-12-16-8-5-10-19-18(16)17(13-14)20-23(21,22)11-9-15-6-3-2-4-7-15/h2-8,10,12-13,20H,9,11H2,1H3.
What are the key properties of N-(6-methylquinolin-8-yl)-2-phenylethanesulfonamide?
N-(6-methylquinolin-8-yl)-2-phenylethanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylquinolin-8-yl)-2-phenylethanesulfonamide is sourced from PubChem (CID 110715599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).