N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide

C18H18N2O2S — CID 5218600

IUPACN-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C18H18N2O2S/c1-3-14-8-4-7-13(2)17(14)20-23(21,22)16-11-5-9-15-10-6-12-19-18(15)16/h4-12,20H,3H2,1-2H3
InChIKeyFYRUNHOIFGQTRN-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.91
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide

N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide (PubChem CID 5218600) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide
PubChem CID5218600
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C18H18N2O2S/c1-3-14-8-4-7-13(2)17(14)20-23(21,22)16-11-5-9-15-10-6-12-19-18(15)16/h4-12,20H,3H2,1-2H3
InChIKeyFYRUNHOIFGQTRN-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
N-(3-benzyl-2-pyridinyl)quinoline-8-sulfonamide
CID 140579955
N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide
CID 19683991
N-(2,4-dimethylphenyl)quinoline-8-sulfonamide
CID 4067742
2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
CID 26952400
3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 60532850
N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide
CID 3338850
N-butylquinoline-8-sulfonamide
CID 2068304
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)quinoline-8-sulfonamide
CID 22202436
N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide
CID 5095146
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide (CID 5218600) is N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide is CCc1cccc(C)c1NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide?
The InChIKey is FYRUNHOIFGQTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-3-14-8-4-7-13(2)17(14)20-23(21,22)16-11-5-9-15-10-6-12-19-18(15)16/h4-12,20H,3H2,1-2H3.
What are the key properties of N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide?
N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide has a molecular weight of 326.42 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide is sourced from PubChem (CID 5218600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).