4-(5-methylquinolin-2-yl)benzenesulfonamide

C16H14N2O2S — CID 164550119

IUPAC4-(5-methylquinolin-2-yl)benzenesulfonamide
SMILESCc1cccc2nc(-c3ccc(S(N)(=O)=O)cc3)ccc12
InChIInChI=1S/C16H14N2O2S/c1-11-3-2-4-16-14(11)9-10-15(18-16)12-5-7-13(8-6-12)21(17,19)20/h2-10H,1H3,(H2,17,19,20)
InChIKeyRTVBLDAOSFUHBO-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.86
Rot. Bonds2

About 4-(5-methylquinolin-2-yl)benzenesulfonamide

4-(5-methylquinolin-2-yl)benzenesulfonamide (PubChem CID 164550119) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-(5-methylquinolin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-methylquinolin-2-yl)benzenesulfonamide
PubChem CID164550119
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name4-(5-methylquinolin-2-yl)benzenesulfonamide
SMILESCc1cccc2nc(-c3ccc(S(N)(=O)=O)cc3)ccc12
InChIInChI=1S/C16H14N2O2S/c1-11-3-2-4-16-14(11)9-10-15(18-16)12-5-7-13(8-6-12)21(17,19)20/h2-10H,1H3,(H2,17,19,20)
InChIKeyRTVBLDAOSFUHBO-UHFFFAOYSA-N
XLogP2.86
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylquinolin-2-yl)benzenesulfonamide?
The IUPAC name of 4-(5-methylquinolin-2-yl)benzenesulfonamide (CID 164550119) is 4-(5-methylquinolin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(5-methylquinolin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(5-methylquinolin-2-yl)benzenesulfonamide is Cc1cccc2nc(-c3ccc(S(N)(=O)=O)cc3)ccc12.
What is the InChIKey of 4-(5-methylquinolin-2-yl)benzenesulfonamide?
The InChIKey is RTVBLDAOSFUHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11-3-2-4-16-14(11)9-10-15(18-16)12-5-7-13(8-6-12)21(17,19)20/h2-10H,1H3,(H2,17,19,20).
What are the key properties of 4-(5-methylquinolin-2-yl)benzenesulfonamide?
4-(5-methylquinolin-2-yl)benzenesulfonamide has a molecular weight of 298.37 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylquinolin-2-yl)benzenesulfonamide is sourced from PubChem (CID 164550119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).