methyl 2-[(4-methylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate

C14H14N4O5S — CID 10545784

IUPACmethyl 2-[(4-methylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nccc(C)n1
InChIInChI=1S/C14H14N4O5S/c1-9-7-8-15-13(16-9)17-14(20)18-24(21,22)11-6-4-3-5-10(11)12(19)23-2/h3-8H,1-2H3,(H2,15,16,17,18,20)
InChIKeyVGBNSONMEGTIDX-UHFFFAOYSA-N
MW350.36 g/mol
LogP1.08
Rot. Bonds4

About methyl 2-[(4-methylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate

methyl 2-[(4-methylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate (PubChem CID 10545784) has the molecular formula C14H14N4O5S and a molecular weight of 350.36 g/mol. Its IUPAC name is methyl 2-[(4-methylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-methylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate
PubChem CID10545784
Molecular FormulaC14H14N4O5S
Molecular Weight350.36 g/mol
Exact Mass350.07
IUPAC Namemethyl 2-[(4-methylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nccc(C)n1
InChIInChI=1S/C14H14N4O5S/c1-9-7-8-15-13(16-9)17-14(20)18-24(21,22)11-6-4-3-5-10(11)12(19)23-2/h3-8H,1-2H3,(H2,15,16,17,18,20)
InChIKeyVGBNSONMEGTIDX-UHFFFAOYSA-N
XLogP1.08
TPSA127.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(4-methylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sulfometuron-methyl
CID 52997
Oxasulfuron
CID 86443
Sulfometuron
CID 52998
6-(((4-methylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-(N,N-dimethylsulfamoyl)benzoate
CID 12006032
Methyl 4-[[2-(dimethylamino)-3-pyridinyl]methylsulfamoyl]benzoate
CID 39660457
[(4-Aminophenyl)sulfonyl-(4,6-dimethylpyrimidin-2-yl)amino]methyl benzoate
CID 56682397
[(4-Aminophenyl)sulfonyl-pyrimidin-2-ylamino]methyl benzoate
CID 56683781
Monosulfuron
CID 57418258
Methyl 3-[[2-(dimethylamino)-3-pyridinyl]methylsulfamoyl]benzoate
CID 39660509
methyl 2-[(4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)carbamoylsulfamoyl]benzoate
CID 2726826
methyl 2-[(4-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)carbamoylsulfamoyl]benzoate
CID 2726827
Methyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzoate
CID 2802617

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate?
The IUPAC name of methyl 2-[(4-methylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate (CID 10545784) is methyl 2-[(4-methylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(4-methylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(4-methylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nccc(C)n1.
What is the InChIKey of methyl 2-[(4-methylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate?
The InChIKey is VGBNSONMEGTIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O5S/c1-9-7-8-15-13(16-9)17-14(20)18-24(21,22)11-6-4-3-5-10(11)12(19)23-2/h3-8H,1-2H3,(H2,15,16,17,18,20).
What are the key properties of methyl 2-[(4-methylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate?
methyl 2-[(4-methylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate has a molecular weight of 350.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate is sourced from PubChem (CID 10545784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).