4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide

C18H16N2O2S — CID 169370373

IUPAC4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C18H16N2O2S/c1-14-5-11-17(12-6-14)23(21,22)20-16-9-7-15(8-10-16)18-4-2-3-13-19-18/h2-13,20H,1H3
InChIKeyXQIJESFXHMQVTN-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.86
Rot. Bonds4

About 4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide

4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide (PubChem CID 169370373) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
PubChem CID169370373
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C18H16N2O2S/c1-14-5-11-17(12-6-14)23(21,22)20-16-9-7-15(8-10-16)18-4-2-3-13-19-18/h2-13,20H,1H3
InChIKeyXQIJESFXHMQVTN-UHFFFAOYSA-N
XLogP3.86
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
2-(4-methylphenyl)pyridine;silver
CID 121395993
4-methyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784217
4-iodo-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 43971723
4-phenyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873652
4-methyl-N-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)benzenesulfonamide
CID 3513839
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
4-methylbenzenesulfonic acid;2-pyridin-2-ylpyridine
CID 118437639
4-methyl-N-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 10596607
3-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16873629
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012724

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide (CID 169370373) is 4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccccn3)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide?
The InChIKey is XQIJESFXHMQVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-14-5-11-17(12-6-14)23(21,22)20-16-9-7-15(8-10-16)18-4-2-3-13-19-18/h2-13,20H,1H3.
What are the key properties of 4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide?
4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide has a molecular weight of 324.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 169370373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).