methyl 3-[(2,6-dichlorophenyl)sulfamoyl]-1-(4,6-dimethoxypyrimidin-2-yl)pyrazole-4-carboxylate

C17H15Cl2N5O6S — CID 139627836

IUPACmethyl 3-[(2,6-dichlorophenyl)sulfamoyl]-1-(4,6-dimethoxypyrimidin-2-yl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2nc(OC)cc(OC)n2)nc1S(=O)(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H15Cl2N5O6S/c1-28-12-7-13(29-2)21-17(20-12)24-8-9(16(25)30-3)15(22-24)31(26,27)23-14-10(18)5-4-6-11(14)19/h4-8,23H,1-3H3
InChIKeyQOJQFBLHFXQGLW-UHFFFAOYSA-N
MW488.31 g/mol
LogP2.57
Rot. Bonds7

About methyl 3-[(2,6-dichlorophenyl)sulfamoyl]-1-(4,6-dimethoxypyrimidin-2-yl)pyrazole-4-carboxylate

methyl 3-[(2,6-dichlorophenyl)sulfamoyl]-1-(4,6-dimethoxypyrimidin-2-yl)pyrazole-4-carboxylate (PubChem CID 139627836) has the molecular formula C17H15Cl2N5O6S and a molecular weight of 488.31 g/mol. Its IUPAC name is methyl 3-[(2,6-dichlorophenyl)sulfamoyl]-1-(4,6-dimethoxypyrimidin-2-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2,6-dichlorophenyl)sulfamoyl]-1-(4,6-dimethoxypyrimidin-2-yl)pyrazole-4-carboxylate
PubChem CID139627836
Molecular FormulaC17H15Cl2N5O6S
Molecular Weight488.31 g/mol
Exact Mass487.01
IUPAC Namemethyl 3-[(2,6-dichlorophenyl)sulfamoyl]-1-(4,6-dimethoxypyrimidin-2-yl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2nc(OC)cc(OC)n2)nc1S(=O)(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H15Cl2N5O6S/c1-28-12-7-13(29-2)21-17(20-12)24-8-9(16(25)30-3)15(22-24)31(26,27)23-14-10(18)5-4-6-11(14)19/h4-8,23H,1-3H3
InChIKeyQOJQFBLHFXQGLW-UHFFFAOYSA-N
XLogP2.57
TPSA134.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,6-dichlorophenyl)sulfamoyl]-1-(4,6-dimethoxypyrimidin-2-yl)pyrazole-4-carboxylate?
The IUPAC name of methyl 3-[(2,6-dichlorophenyl)sulfamoyl]-1-(4,6-dimethoxypyrimidin-2-yl)pyrazole-4-carboxylate (CID 139627836) is methyl 3-[(2,6-dichlorophenyl)sulfamoyl]-1-(4,6-dimethoxypyrimidin-2-yl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 3-[(2,6-dichlorophenyl)sulfamoyl]-1-(4,6-dimethoxypyrimidin-2-yl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 3-[(2,6-dichlorophenyl)sulfamoyl]-1-(4,6-dimethoxypyrimidin-2-yl)pyrazole-4-carboxylate is COC(=O)c1cn(-c2nc(OC)cc(OC)n2)nc1S(=O)(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of methyl 3-[(2,6-dichlorophenyl)sulfamoyl]-1-(4,6-dimethoxypyrimidin-2-yl)pyrazole-4-carboxylate?
The InChIKey is QOJQFBLHFXQGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O6S/c1-28-12-7-13(29-2)21-17(20-12)24-8-9(16(25)30-3)15(22-24)31(26,27)23-14-10(18)5-4-6-11(14)19/h4-8,23H,1-3H3.
What are the key properties of methyl 3-[(2,6-dichlorophenyl)sulfamoyl]-1-(4,6-dimethoxypyrimidin-2-yl)pyrazole-4-carboxylate?
methyl 3-[(2,6-dichlorophenyl)sulfamoyl]-1-(4,6-dimethoxypyrimidin-2-yl)pyrazole-4-carboxylate has a molecular weight of 488.31 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,6-dichlorophenyl)sulfamoyl]-1-(4,6-dimethoxypyrimidin-2-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 139627836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).