2,4-dimethyl-5-quinolin-6-ylbenzenesulfonamide

C17H16N2O2S — CID 171909687

IUPAC2,4-dimethyl-5-quinolin-6-ylbenzenesulfonamide
SMILESCc1cc(C)c(S(N)(=O)=O)cc1-c1ccc2ncccc2c1
InChIInChI=1S/C17H16N2O2S/c1-11-8-12(2)17(22(18,20)21)10-15(11)13-5-6-16-14(9-13)4-3-7-19-16/h3-10H,1-2H3,(H2,18,20,21)
InChIKeyXSWJYUOZHVMDEJ-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.17
Rot. Bonds2

About 2,4-dimethyl-5-quinolin-6-ylbenzenesulfonamide

2,4-dimethyl-5-quinolin-6-ylbenzenesulfonamide (PubChem CID 171909687) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2,4-dimethyl-5-quinolin-6-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-5-quinolin-6-ylbenzenesulfonamide
PubChem CID171909687
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name2,4-dimethyl-5-quinolin-6-ylbenzenesulfonamide
SMILESCc1cc(C)c(S(N)(=O)=O)cc1-c1ccc2ncccc2c1
InChIInChI=1S/C17H16N2O2S/c1-11-8-12(2)17(22(18,20)21)10-15(11)13-5-6-16-14(9-13)4-3-7-19-16/h3-10H,1-2H3,(H2,18,20,21)
InChIKeyXSWJYUOZHVMDEJ-UHFFFAOYSA-N
XLogP3.17
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-quinolin-6-ylaniline
CID 81224667
quinoline-6-sulfonamide
CID 23273907
3-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266312
6-(4-methylsulfonylphenyl)quinoline
CID 72888822
6-(3-methylphenyl)quinoline
CID 4185278
azane;5-quinolin-6-yl-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine
CID 69028906
N'-hydrazinyl-4-quinolin-6-yl-2-sulfamoylpyridine-3-carboximidamide
CID 144893372
3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865
6-methylquinoline
CID 7059
N,4,5-trimethyl-6-quinolin-6-ylpyridazin-3-amine
CID 81221120
3-methyl-4-quinolin-7-ylaniline
CID 81224279
2-fluoro-6-quinolin-6-ylaniline
CID 107602869

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-quinolin-6-ylbenzenesulfonamide?
The IUPAC name of 2,4-dimethyl-5-quinolin-6-ylbenzenesulfonamide (CID 171909687) is 2,4-dimethyl-5-quinolin-6-ylbenzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-5-quinolin-6-ylbenzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-5-quinolin-6-ylbenzenesulfonamide is Cc1cc(C)c(S(N)(=O)=O)cc1-c1ccc2ncccc2c1.
What is the InChIKey of 2,4-dimethyl-5-quinolin-6-ylbenzenesulfonamide?
The InChIKey is XSWJYUOZHVMDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11-8-12(2)17(22(18,20)21)10-15(11)13-5-6-16-14(9-13)4-3-7-19-16/h3-10H,1-2H3,(H2,18,20,21).
What are the key properties of 2,4-dimethyl-5-quinolin-6-ylbenzenesulfonamide?
2,4-dimethyl-5-quinolin-6-ylbenzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-quinolin-6-ylbenzenesulfonamide is sourced from PubChem (CID 171909687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).