4-methyl-N-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)benzenesulfonamide

C17H16N4O2S — CID 3513839

IUPAC4-methyl-N-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H16N4O2S/c1-12-6-8-14(9-7-12)24(22,23)21-17-19-13(2)11-16(20-17)15-5-3-4-10-18-15/h3-11H,1-2H3,(H,19,20,21)
InChIKeyHOTYBTTZTZEFMZ-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.96
Rot. Bonds4

About 4-methyl-N-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)benzenesulfonamide

4-methyl-N-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 3513839) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 4-methyl-N-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)benzenesulfonamide
PubChem CID3513839
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name4-methyl-N-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/C17H16N4O2S/c1-12-6-8-14(9-7-12)24(22,23)21-17-19-13(2)11-16(20-17)15-5-3-4-10-18-15/h3-11H,1-2H3,(H,19,20,21)
InChIKeyHOTYBTTZTZEFMZ-UHFFFAOYSA-N
XLogP2.96
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
CID 169370373
4-methylbenzenesulfonic acid;2-pyridin-2-ylpyridine
CID 118437639
4-methyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784217
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469
4-methyl-N-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 10596607
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 1116398
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid
CID 21393658
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
N-(4,6-dimethylpyrimidin-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507234
N-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide
CID 170392795

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)benzenesulfonamide (CID 3513839) is 4-methyl-N-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc(C)cc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-methyl-N-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is HOTYBTTZTZEFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-12-6-8-14(9-7-12)24(22,23)21-17-19-13(2)11-16(20-17)15-5-3-4-10-18-15/h3-11H,1-2H3,(H,19,20,21).
What are the key properties of 4-methyl-N-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)benzenesulfonamide?
4-methyl-N-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 340.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 3513839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).