N-benzyl-N-pyridin-2-ylbenzenesulfonamide

C18H16N2O2S — CID 668956

IUPACN-benzyl-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C18H16N2O2S/c21-23(22,17-11-5-2-6-12-17)20(18-13-7-8-14-19-18)15-16-9-3-1-4-10-16/h1-14H,15H2
InChIKeyZQUUMEDILWUXRS-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.48
Rot. Bonds5

About N-benzyl-N-pyridin-2-ylbenzenesulfonamide

N-benzyl-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 668956) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-benzyl-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-pyridin-2-ylbenzenesulfonamide
PubChem CID668956
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-benzyl-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C18H16N2O2S/c21-23(22,17-11-5-2-6-12-17)20(18-13-7-8-14-19-18)15-16-9-3-1-4-10-16/h1-14H,15H2
InChIKeyZQUUMEDILWUXRS-UHFFFAOYSA-N
XLogP3.48
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-pyridin-2-ylbenzenesulfonamide (CID 668956) is N-benzyl-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-pyridin-2-ylbenzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is ZQUUMEDILWUXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c21-23(22,17-11-5-2-6-12-17)20(18-13-7-8-14-19-18)15-16-9-3-1-4-10-16/h1-14H,15H2.
What are the key properties of N-benzyl-N-pyridin-2-ylbenzenesulfonamide?
N-benzyl-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 324.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 668956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).