methyl 2-sulfamoyl-6-(4,5,6-trimethylpyrimidin-2-yl)benzoate

C15H17N3O4S — CID 70510631

IUPACmethyl 2-sulfamoyl-6-(4,5,6-trimethylpyrimidin-2-yl)benzoate
SMILESCOC(=O)c1c(-c2nc(C)c(C)c(C)n2)cccc1S(N)(=O)=O
InChIInChI=1S/C15H17N3O4S/c1-8-9(2)17-14(18-10(8)3)11-6-5-7-12(23(16,20)21)13(11)15(19)22-4/h5-7H,1-4H3,(H2,16,20,21)
InChIKeyNOHSZKINTLSICF-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.50
Rot. Bonds3

About methyl 2-sulfamoyl-6-(4,5,6-trimethylpyrimidin-2-yl)benzoate

methyl 2-sulfamoyl-6-(4,5,6-trimethylpyrimidin-2-yl)benzoate (PubChem CID 70510631) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is methyl 2-sulfamoyl-6-(4,5,6-trimethylpyrimidin-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-sulfamoyl-6-(4,5,6-trimethylpyrimidin-2-yl)benzoate
PubChem CID70510631
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Namemethyl 2-sulfamoyl-6-(4,5,6-trimethylpyrimidin-2-yl)benzoate
SMILESCOC(=O)c1c(-c2nc(C)c(C)c(C)n2)cccc1S(N)(=O)=O
InChIInChI=1S/C15H17N3O4S/c1-8-9(2)17-14(18-10(8)3)11-6-5-7-12(23(16,20)21)13(11)15(19)22-4/h5-7H,1-4H3,(H2,16,20,21)
InChIKeyNOHSZKINTLSICF-UHFFFAOYSA-N
XLogP1.50
TPSA112.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-sulfamoyl-6-(4,5,6-trimethylpyrimidin-2-yl)benzoate?
The IUPAC name of methyl 2-sulfamoyl-6-(4,5,6-trimethylpyrimidin-2-yl)benzoate (CID 70510631) is methyl 2-sulfamoyl-6-(4,5,6-trimethylpyrimidin-2-yl)benzoate.
What is the SMILES notation for methyl 2-sulfamoyl-6-(4,5,6-trimethylpyrimidin-2-yl)benzoate?
The canonical SMILES for methyl 2-sulfamoyl-6-(4,5,6-trimethylpyrimidin-2-yl)benzoate is COC(=O)c1c(-c2nc(C)c(C)c(C)n2)cccc1S(N)(=O)=O.
What is the InChIKey of methyl 2-sulfamoyl-6-(4,5,6-trimethylpyrimidin-2-yl)benzoate?
The InChIKey is NOHSZKINTLSICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-8-9(2)17-14(18-10(8)3)11-6-5-7-12(23(16,20)21)13(11)15(19)22-4/h5-7H,1-4H3,(H2,16,20,21).
What are the key properties of methyl 2-sulfamoyl-6-(4,5,6-trimethylpyrimidin-2-yl)benzoate?
methyl 2-sulfamoyl-6-(4,5,6-trimethylpyrimidin-2-yl)benzoate has a molecular weight of 335.39 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-sulfamoyl-6-(4,5,6-trimethylpyrimidin-2-yl)benzoate is sourced from PubChem (CID 70510631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).