methyl 2-[carbamoyl-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]sulfamoyl]benzoate

C15H14F2N4O7S — CID 151729187

IUPACmethyl 2-[carbamoyl-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N(C(N)=O)c1nc(OC)cc(OC(F)F)n1
InChIInChI=1S/C15H14F2N4O7S/c1-26-10-7-11(28-13(16)17)20-15(19-10)21(14(18)23)29(24,25)9-6-4-3-5-8(9)12(22)27-2/h3-7,13H,1-2H3,(H2,18,23)
InChIKeyRKEZZMVNVHELIB-UHFFFAOYSA-N
MW432.36 g/mol
LogP1.15
Rot. Bonds7

About methyl 2-[carbamoyl-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]sulfamoyl]benzoate

methyl 2-[carbamoyl-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]sulfamoyl]benzoate (PubChem CID 151729187) has the molecular formula C15H14F2N4O7S and a molecular weight of 432.36 g/mol. Its IUPAC name is methyl 2-[carbamoyl-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[carbamoyl-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]sulfamoyl]benzoate
PubChem CID151729187
Molecular FormulaC15H14F2N4O7S
Molecular Weight432.36 g/mol
Exact Mass432.06
IUPAC Namemethyl 2-[carbamoyl-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N(C(N)=O)c1nc(OC)cc(OC(F)F)n1
InChIInChI=1S/C15H14F2N4O7S/c1-26-10-7-11(28-13(16)17)20-15(19-10)21(14(18)23)29(24,25)9-6-4-3-5-8(9)12(22)27-2/h3-7,13H,1-2H3,(H2,18,23)
InChIKeyRKEZZMVNVHELIB-UHFFFAOYSA-N
XLogP1.15
TPSA151.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 2-[carbamoyl-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]sulfamoyl]benzoate with MolForge

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Related Compounds

methyl 2-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate
CID 23109792
1-(4-chloro-6-methylpyrimidin-2-yl)-1-[2-(difluoromethoxy)phenyl]sulfonylurea
CID 88698795
2-amino-1-[2-(difluoromethoxy)phenyl]sulfonyl-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)guanidine
CID 67905409
methyl 2-[[4,6-bis(difluoromethoxy)pyrimidin-2-yl]carbamoylsulfonylamino]benzoate
CID 141199280
1-(4,6-dimethoxypyrimidin-2-yl)-1-[[3-(dimethylamino)-2-pyridinyl]sulfonyl]urea
CID 141017189
methyl 2-[[1-(4,6-dimethoxypyrimidin-2-yl)-5-oxo-1,2,4-triazol-4-yl]-(2-methoxycarbonylphenyl)sulfonylsulfamoyl]benzoate
CID 14677260
(2-methoxycarbonylphenyl)sulfonyl-methylcarbamic acid
CID 67904319
1-(4,6-dimethoxypyrimidin-2-yl)-1-[[2-(2,2,2-trifluoroacetyl)pyrrol-1-yl]sulfamoyl]urea
CID 67618462
methyl 2-[2-methylpropyl(propan-2-yl)sulfamoyl]benzoate
CID 103833460
1-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]-3-sulfonylurea;methyl benzoate
CID 88664683
methyl 3-[carbamoyl-(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-5-chloro-2-methyl-1H-pyrazole-5-carboxylate
CID 67417073
1-[(2-chloro-3-pyridinyl)sulfonyl]-3-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]urea
CID 88620758

Frequently Asked Questions

What is the IUPAC name of methyl 2-[carbamoyl-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]sulfamoyl]benzoate?
The IUPAC name of methyl 2-[carbamoyl-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]sulfamoyl]benzoate (CID 151729187) is methyl 2-[carbamoyl-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[carbamoyl-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[carbamoyl-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)N(C(N)=O)c1nc(OC)cc(OC(F)F)n1.
What is the InChIKey of methyl 2-[carbamoyl-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]sulfamoyl]benzoate?
The InChIKey is RKEZZMVNVHELIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O7S/c1-26-10-7-11(28-13(16)17)20-15(19-10)21(14(18)23)29(24,25)9-6-4-3-5-8(9)12(22)27-2/h3-7,13H,1-2H3,(H2,18,23).
What are the key properties of methyl 2-[carbamoyl-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]sulfamoyl]benzoate?
methyl 2-[carbamoyl-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]sulfamoyl]benzoate has a molecular weight of 432.36 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[carbamoyl-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]sulfamoyl]benzoate is sourced from PubChem (CID 151729187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).