methyl 6-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate

C19H17ClN4O4S — CID 163242799

IUPACmethyl 6-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(S(=O)(=O)Nc2nc(Cl)cc(-c3c(C)cccc3C)n2)n1
InChIInChI=1S/C19H17ClN4O4S/c1-11-6-4-7-12(2)17(11)14-10-15(20)23-19(22-14)24-29(26,27)16-9-5-8-13(21-16)18(25)28-3/h4-10H,1-3H3,(H,22,23,24)
InChIKeyRAVDDZMUBPAYOS-UHFFFAOYSA-N
MW432.89 g/mol
LogP3.40
Rot. Bonds5

About methyl 6-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate

methyl 6-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate (PubChem CID 163242799) has the molecular formula C19H17ClN4O4S and a molecular weight of 432.89 g/mol. Its IUPAC name is methyl 6-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate
PubChem CID163242799
Molecular FormulaC19H17ClN4O4S
Molecular Weight432.89 g/mol
Exact Mass432.07
IUPAC Namemethyl 6-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(S(=O)(=O)Nc2nc(Cl)cc(-c3c(C)cccc3C)n2)n1
InChIInChI=1S/C19H17ClN4O4S/c1-11-6-4-7-12(2)17(11)14-10-15(20)23-19(22-14)24-29(26,27)16-9-5-8-13(21-16)18(25)28-3/h4-10H,1-3H3,(H,22,23,24)
InChIKeyRAVDDZMUBPAYOS-UHFFFAOYSA-N
XLogP3.40
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate (CID 163242799) is methyl 6-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate is COC(=O)c1cccc(S(=O)(=O)Nc2nc(Cl)cc(-c3c(C)cccc3C)n2)n1.
What is the InChIKey of methyl 6-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate?
The InChIKey is RAVDDZMUBPAYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4S/c1-11-6-4-7-12(2)17(11)14-10-15(20)23-19(22-14)24-29(26,27)16-9-5-8-13(21-16)18(25)28-3/h4-10H,1-3H3,(H,22,23,24).
What are the key properties of methyl 6-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate?
methyl 6-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate has a molecular weight of 432.89 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-yl]sulfamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 163242799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).