4-methyl-N-phenyl-N-pyridin-2-ylbenzenesulfonamide

C18H16N2O2S — CID 882825

IUPAC4-methyl-N-phenyl-N-pyridin-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C18H16N2O2S/c1-15-10-12-17(13-11-15)23(21,22)20(16-7-3-2-4-8-16)18-9-5-6-14-19-18/h2-14H,1H3
InChIKeyCXMDMUUAFWETSC-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.92
Rot. Bonds4

About 4-methyl-N-phenyl-N-pyridin-2-ylbenzenesulfonamide

4-methyl-N-phenyl-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 882825) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-methyl-N-phenyl-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-phenyl-N-pyridin-2-ylbenzenesulfonamide
PubChem CID882825
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name4-methyl-N-phenyl-N-pyridin-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C18H16N2O2S/c1-15-10-12-17(13-11-15)23(21,22)20(16-7-3-2-4-8-16)18-9-5-6-14-19-18/h2-14H,1H3
InChIKeyCXMDMUUAFWETSC-UHFFFAOYSA-N
XLogP3.92
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenyl-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-phenyl-N-pyridin-2-ylbenzenesulfonamide (CID 882825) is 4-methyl-N-phenyl-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-phenyl-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-phenyl-N-pyridin-2-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of 4-methyl-N-phenyl-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is CXMDMUUAFWETSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-15-10-12-17(13-11-15)23(21,22)20(16-7-3-2-4-8-16)18-9-5-6-14-19-18/h2-14H,1H3.
What are the key properties of 4-methyl-N-phenyl-N-pyridin-2-ylbenzenesulfonamide?
4-methyl-N-phenyl-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 324.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenyl-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 882825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).