N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide

C13H15N3O3S — CID 717519

IUPACN-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C13H15N3O3S/c1-9-8-10(2)15-13(14-9)16-20(17,18)12-6-4-11(19-3)5-7-12/h4-8H,1-3H3,(H,14,15,16)
InChIKeyBRZOQMBOSAFDJS-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.90
Rot. Bonds4

About N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide

N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide (PubChem CID 717519) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
PubChem CID717519
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C13H15N3O3S/c1-9-8-10(2)15-13(14-9)16-20(17,18)12-6-4-11(19-3)5-7-12/h4-8H,1-3H3,(H,14,15,16)
InChIKeyBRZOQMBOSAFDJS-UHFFFAOYSA-N
XLogP1.90
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methoxybenzenesulfonamide
CID 108783146
4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601659
4-methoxy-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27478634
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid
CID 21393658
N-(4,6-dimethylpyrimidin-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507234
(2R)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 94864617
4-(cyanomethyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 79186466
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide
CID 3700231
4-[(6-chloro-2-methoxyacridin-9-yl)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 5270854
4-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 3857714

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide (CID 717519) is N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide?
The InChIKey is BRZOQMBOSAFDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-9-8-10(2)15-13(14-9)16-20(17,18)12-6-4-11(19-3)5-7-12/h4-8H,1-3H3,(H,14,15,16).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide?
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 717519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).