3-(4,6-dimethoxypyrimidin-2-yl)sulfonyl-4-methylphenol

C13H14N2O5S — CID 67693182

IUPAC3-(4,6-dimethoxypyrimidin-2-yl)sulfonyl-4-methylphenol
SMILESCOc1cc(OC)nc(S(=O)(=O)c2cc(O)ccc2C)n1
InChIInChI=1S/C13H14N2O5S/c1-8-4-5-9(16)6-10(8)21(17,18)13-14-11(19-2)7-12(15-13)20-3/h4-7,16H,1-3H3
InChIKeyMGNIAYMZCGWEIV-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.34
Rot. Bonds4

About 3-(4,6-dimethoxypyrimidin-2-yl)sulfonyl-4-methylphenol

3-(4,6-dimethoxypyrimidin-2-yl)sulfonyl-4-methylphenol (PubChem CID 67693182) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 3-(4,6-dimethoxypyrimidin-2-yl)sulfonyl-4-methylphenol.

Molecular Properties

Compound Name3-(4,6-dimethoxypyrimidin-2-yl)sulfonyl-4-methylphenol
PubChem CID67693182
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name3-(4,6-dimethoxypyrimidin-2-yl)sulfonyl-4-methylphenol
SMILESCOc1cc(OC)nc(S(=O)(=O)c2cc(O)ccc2C)n1
InChIInChI=1S/C13H14N2O5S/c1-8-4-5-9(16)6-10(8)21(17,18)13-14-11(19-2)7-12(15-13)20-3/h4-7,16H,1-3H3
InChIKeyMGNIAYMZCGWEIV-UHFFFAOYSA-N
XLogP1.34
TPSA98.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-hydroxy-2-methylphenyl)sulfonyl-4-methylphenol
CID 101301765
2-(5-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol
CID 101301743
sodium 5-hydroxy-2-methylbenzenesulfonic acid
CID 76871815
aluminum tris(5-hydroxy-2-methylbenzenesulfonic acid)
CID 119057750
4-(5-hydroxy-2-methylphenyl)sulfonyl-2,5-dimethylphenol
CID 101301917
5-hydroxy-N,N,2-trimethylbenzenesulfonamide
CID 21127023
aminourea;5-hydroxy-2-methylbenzenesulfonic acid
CID 87903810
bis(4-methoxyphenyl)methyl-phenylphosphane;5-hydroxy-2-methylbenzenesulfonic acid
CID 173366161
5-hydroxy-2-methylbenzenesulfonic acid;2-methyl-1,3-benzothiazole
CID 173161916
5-hydroxy-2-methylbenzenesulfonic acid;morpholine
CID 88713946
4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601659
5-hydroxy-2-methylbenzenesulfonate;tetraethylazanium
CID 87657580

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)sulfonyl-4-methylphenol?
The IUPAC name of 3-(4,6-dimethoxypyrimidin-2-yl)sulfonyl-4-methylphenol (CID 67693182) is 3-(4,6-dimethoxypyrimidin-2-yl)sulfonyl-4-methylphenol.
What is the SMILES notation for 3-(4,6-dimethoxypyrimidin-2-yl)sulfonyl-4-methylphenol?
The canonical SMILES for 3-(4,6-dimethoxypyrimidin-2-yl)sulfonyl-4-methylphenol is COc1cc(OC)nc(S(=O)(=O)c2cc(O)ccc2C)n1.
What is the InChIKey of 3-(4,6-dimethoxypyrimidin-2-yl)sulfonyl-4-methylphenol?
The InChIKey is MGNIAYMZCGWEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-8-4-5-9(16)6-10(8)21(17,18)13-14-11(19-2)7-12(15-13)20-3/h4-7,16H,1-3H3.
What are the key properties of 3-(4,6-dimethoxypyrimidin-2-yl)sulfonyl-4-methylphenol?
3-(4,6-dimethoxypyrimidin-2-yl)sulfonyl-4-methylphenol has a molecular weight of 310.33 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethoxypyrimidin-2-yl)sulfonyl-4-methylphenol is sourced from PubChem (CID 67693182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).