4-methyl-N-quinolin-2-ylbenzenesulfonamide

C16H14N2O2S — CID 2812452

IUPAC4-methyl-N-quinolin-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3ccccc3n2)cc1
InChIInChI=1S/C16H14N2O2S/c1-12-6-9-14(10-7-12)21(19,20)18-16-11-8-13-4-2-3-5-15(13)17-16/h2-11H,1H3,(H,17,18)
InChIKeyXFJJGEIKODBFGJ-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.34
Rot. Bonds3

About 4-methyl-N-quinolin-2-ylbenzenesulfonamide

4-methyl-N-quinolin-2-ylbenzenesulfonamide (PubChem CID 2812452) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-methyl-N-quinolin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-quinolin-2-ylbenzenesulfonamide
PubChem CID2812452
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name4-methyl-N-quinolin-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3ccccc3n2)cc1
InChIInChI=1S/C16H14N2O2S/c1-12-6-9-14(10-7-12)21(19,20)18-16-11-8-13-4-2-3-5-15(13)17-16/h2-11H,1H3,(H,17,18)
InChIKeyXFJJGEIKODBFGJ-UHFFFAOYSA-N
XLogP3.34
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-quinolin-2-ylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-quinolin-2-ylbenzenesulfonamide (CID 2812452) is 4-methyl-N-quinolin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-quinolin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-quinolin-2-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3ccccc3n2)cc1.
What is the InChIKey of 4-methyl-N-quinolin-2-ylbenzenesulfonamide?
The InChIKey is XFJJGEIKODBFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-12-6-9-14(10-7-12)21(19,20)18-16-11-8-13-4-2-3-5-15(13)17-16/h2-11H,1H3,(H,17,18).
What are the key properties of 4-methyl-N-quinolin-2-ylbenzenesulfonamide?
4-methyl-N-quinolin-2-ylbenzenesulfonamide has a molecular weight of 298.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-quinolin-2-ylbenzenesulfonamide is sourced from PubChem (CID 2812452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).