N-(2,4-dimethylphenyl)quinoline-8-sulfonamide

C17H16N2O2S — CID 4067742

IUPACN-(2,4-dimethylphenyl)quinoline-8-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc3cccnc23)c(C)c1
InChIInChI=1S/C17H16N2O2S/c1-12-8-9-15(13(2)11-12)19-22(20,21)16-7-3-5-14-6-4-10-18-17(14)16/h3-11,19H,1-2H3
InChIKeyJCBAQJCOHDMOEV-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.65
Rot. Bonds3

About N-(2,4-dimethylphenyl)quinoline-8-sulfonamide

N-(2,4-dimethylphenyl)quinoline-8-sulfonamide (PubChem CID 4067742) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)quinoline-8-sulfonamide
PubChem CID4067742
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(2,4-dimethylphenyl)quinoline-8-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc3cccnc23)c(C)c1
InChIInChI=1S/C17H16N2O2S/c1-12-8-9-15(13(2)11-12)19-22(20,21)16-7-3-5-14-6-4-10-18-17(14)16/h3-11,19H,1-2H3
InChIKeyJCBAQJCOHDMOEV-UHFFFAOYSA-N
XLogP3.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide
CID 4197183
N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046311
2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide
CID 24629216
N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide
CID 3338850
6-methyl-N-(2-methylphenyl)quinoline-8-sulfonamide
CID 7304307
N-(2-methyl-5-nitrophenyl)quinoline-8-sulfonamide
CID 4307070
N-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide
CID 5007550
N-(2,5-difluorophenyl)quinoline-8-sulfonamide
CID 22773481
N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide
CID 5218600
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046482
2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide
CID 76506701

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)quinoline-8-sulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)quinoline-8-sulfonamide (CID 4067742) is N-(2,4-dimethylphenyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)quinoline-8-sulfonamide is Cc1ccc(NS(=O)(=O)c2cccc3cccnc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)quinoline-8-sulfonamide?
The InChIKey is JCBAQJCOHDMOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-12-8-9-15(13(2)11-12)19-22(20,21)16-7-3-5-14-6-4-10-18-17(14)16/h3-11,19H,1-2H3.
What are the key properties of N-(2,4-dimethylphenyl)quinoline-8-sulfonamide?
N-(2,4-dimethylphenyl)quinoline-8-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)quinoline-8-sulfonamide is sourced from PubChem (CID 4067742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).