N-(2,5-dimethylpyrimidin-4-yl)-2,4-dimethylbenzenesulfonamide

C14H17N3O2S — CID 154759549

IUPACN-(2,5-dimethylpyrimidin-4-yl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)ncc2C)c(C)c1
InChIInChI=1S/C14H17N3O2S/c1-9-5-6-13(10(2)7-9)20(18,19)17-14-11(3)8-15-12(4)16-14/h5-8H,1-4H3,(H,15,16,17)
InChIKeyOLKLZDNCOBHBNI-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.51
Rot. Bonds3

About N-(2,5-dimethylpyrimidin-4-yl)-2,4-dimethylbenzenesulfonamide

N-(2,5-dimethylpyrimidin-4-yl)-2,4-dimethylbenzenesulfonamide (PubChem CID 154759549) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(2,5-dimethylpyrimidin-4-yl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrimidin-4-yl)-2,4-dimethylbenzenesulfonamide
PubChem CID154759549
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(2,5-dimethylpyrimidin-4-yl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)ncc2C)c(C)c1
InChIInChI=1S/C14H17N3O2S/c1-9-5-6-13(10(2)7-9)20(18,19)17-14-11(3)8-15-12(4)16-14/h5-8H,1-4H3,(H,15,16,17)
InChIKeyOLKLZDNCOBHBNI-UHFFFAOYSA-N
XLogP2.51
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691550
N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide
CID 91968392
2,4-dimethyl-N-(2-phenylpyrimidin-5-yl)benzenesulfonamide
CID 166435638
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
N-(1,5-dimethylpyrazol-4-yl)-2,4-dimethylbenzenesulfonamide
CID 22209133
N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide
CID 104821515
N-(1H-indazol-6-yl)-2,4-dimethylbenzenesulfonamide
CID 2078539
2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 91968208
2,4-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71859528
2,4-dimethyl-N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026753
2,4-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]benzenesulfonamide
CID 113023907
2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 19683803

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrimidin-4-yl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2,5-dimethylpyrimidin-4-yl)-2,4-dimethylbenzenesulfonamide (CID 154759549) is N-(2,5-dimethylpyrimidin-4-yl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethylpyrimidin-4-yl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2,5-dimethylpyrimidin-4-yl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc(C)ncc2C)c(C)c1.
What is the InChIKey of N-(2,5-dimethylpyrimidin-4-yl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is OLKLZDNCOBHBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-5-6-13(10(2)7-9)20(18,19)17-14-11(3)8-15-12(4)16-14/h5-8H,1-4H3,(H,15,16,17).
What are the key properties of N-(2,5-dimethylpyrimidin-4-yl)-2,4-dimethylbenzenesulfonamide?
N-(2,5-dimethylpyrimidin-4-yl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrimidin-4-yl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 154759549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).