4-methyl-N-quinolin-4-ylbenzenesulfonamide

C16H14N2O2S — CID 1380890

IUPAC4-methyl-N-quinolin-4-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccnc3ccccc23)cc1
InChIInChI=1S/C16H14N2O2S/c1-12-6-8-13(9-7-12)21(19,20)18-16-10-11-17-15-5-3-2-4-14(15)16/h2-11H,1H3,(H,17,18)
InChIKeyQUSRFZSAXQSDFQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.34
Rot. Bonds3

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

4-methyl-N-quinolin-4-ylbenzenesulfonamide (PubChem CID 1380890) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-methyl-N-quinolin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-quinolin-4-ylbenzenesulfonamide
PubChem CID1380890
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name4-methyl-N-quinolin-4-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccnc3ccccc23)cc1
InChIInChI=1S/C16H14N2O2S/c1-12-6-8-13(9-7-12)21(19,20)18-16-10-11-17-15-5-3-2-4-14(15)16/h2-11H,1H3,(H,17,18)
InChIKeyQUSRFZSAXQSDFQ-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-4-ylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-quinolin-4-ylbenzenesulfonamide (CID 1380890) is 4-methyl-N-quinolin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-quinolin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-quinolin-4-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccnc3ccccc23)cc1.
What is the InChIKey of 4-methyl-N-quinolin-4-ylbenzenesulfonamide?
The InChIKey is QUSRFZSAXQSDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-12-6-8-13(9-7-12)21(19,20)18-16-10-11-17-15-5-3-2-4-14(15)16/h2-11H,1H3,(H,17,18).
What are the key properties of 4-methyl-N-quinolin-4-ylbenzenesulfonamide?
4-methyl-N-quinolin-4-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-4-ylbenzenesulfonamide is sourced from PubChem (CID 1380890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).