methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]benzoate

C14H15N3O6S — CID 5310593

IUPACmethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H15N3O6S/c1-16-8-11(12(18)17(2)14(16)20)24(21,22)15-10-7-5-4-6-9(10)13(19)23-3/h4-8,15H,1-3H3
InChIKeyAVOMJXCITJUJGV-UHFFFAOYSA-N
MW353.36 g/mol
LogP-0.33
Rot. Bonds4

About methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]benzoate

methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]benzoate (PubChem CID 5310593) has the molecular formula C14H15N3O6S and a molecular weight of 353.36 g/mol. Its IUPAC name is methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]benzoate
PubChem CID5310593
Molecular FormulaC14H15N3O6S
Molecular Weight353.36 g/mol
Exact Mass353.07
IUPAC Namemethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H15N3O6S/c1-16-8-11(12(18)17(2)14(16)20)24(21,22)15-10-7-5-4-6-9(10)13(19)23-3/h4-8,15H,1-3H3
InChIKeyAVOMJXCITJUJGV-UHFFFAOYSA-N
XLogP-0.33
TPSA116.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]benzoate?
The IUPAC name of methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]benzoate (CID 5310593) is methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]benzoate is COC(=O)c1ccccc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]benzoate?
The InChIKey is AVOMJXCITJUJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O6S/c1-16-8-11(12(18)17(2)14(16)20)24(21,22)15-10-7-5-4-6-9(10)13(19)23-3/h4-8,15H,1-3H3.
What are the key properties of methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]benzoate?
methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]benzoate has a molecular weight of 353.36 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]benzoate is sourced from PubChem (CID 5310593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).