2,4-dimethyl-N-(2-phenylpyrimidin-5-yl)benzenesulfonamide

C18H17N3O2S — CID 166435638

IUPAC2,4-dimethyl-N-(2-phenylpyrimidin-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)c(C)c1
InChIInChI=1S/C18H17N3O2S/c1-13-8-9-17(14(2)10-13)24(22,23)21-16-11-19-18(20-12-16)15-6-4-3-5-7-15/h3-12,21H,1-2H3
InChIKeyZXFMOFNCDBQFKY-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.56
Rot. Bonds4

About 2,4-dimethyl-N-(2-phenylpyrimidin-5-yl)benzenesulfonamide

2,4-dimethyl-N-(2-phenylpyrimidin-5-yl)benzenesulfonamide (PubChem CID 166435638) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-phenylpyrimidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-phenylpyrimidin-5-yl)benzenesulfonamide
PubChem CID166435638
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2,4-dimethyl-N-(2-phenylpyrimidin-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)c(C)c1
InChIInChI=1S/C18H17N3O2S/c1-13-8-9-17(14(2)10-13)24(22,23)21-16-11-19-18(20-12-16)15-6-4-3-5-7-15/h3-12,21H,1-2H3
InChIKeyZXFMOFNCDBQFKY-UHFFFAOYSA-N
XLogP3.56
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide
CID 91968392
2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 91968208
2,4-dimethyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113026553
2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide
CID 925055
2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691550
N-[6-[(2-fluorophenyl)methylamino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113012075
2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 19683803
N-[6-(3-chloroanilino)-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113018565
N-(2-ethoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 7742393
N-benzhydryl-2,4-dimethylbenzenesulfonamide
CID 19681706
N-(2,5-dimethylpyrimidin-4-yl)-2,4-dimethylbenzenesulfonamide
CID 154759549
N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2,4-dimethylbenzenesulfonamide
CID 113020920

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-phenylpyrimidin-5-yl)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-(2-phenylpyrimidin-5-yl)benzenesulfonamide (CID 166435638) is 2,4-dimethyl-N-(2-phenylpyrimidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-phenylpyrimidin-5-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(2-phenylpyrimidin-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(2-phenylpyrimidin-5-yl)benzenesulfonamide?
The InChIKey is ZXFMOFNCDBQFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-13-8-9-17(14(2)10-13)24(22,23)21-16-11-19-18(20-12-16)15-6-4-3-5-7-15/h3-12,21H,1-2H3.
What are the key properties of 2,4-dimethyl-N-(2-phenylpyrimidin-5-yl)benzenesulfonamide?
2,4-dimethyl-N-(2-phenylpyrimidin-5-yl)benzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-phenylpyrimidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 166435638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).