methyl 2-[[2-(dimethylsulfamoyl)phenyl]sulfonylcarbamoylamino]-4,6-dimethylpyridine-3-carboxylate

C18H22N4O7S2 — CID 14050228

IUPACmethyl 2-[[2-(dimethylsulfamoyl)phenyl]sulfonylcarbamoylamino]-4,6-dimethylpyridine-3-carboxylate
SMILESCOC(=O)c1c(C)cc(C)nc1NC(=O)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H22N4O7S2/c1-11-10-12(2)19-16(15(11)17(23)29-5)20-18(24)21-30(25,26)13-8-6-7-9-14(13)31(27,28)22(3)4/h6-10H,1-5H3,(H2,19,20,21,24)
InChIKeyOLBORPFPIZWSPL-UHFFFAOYSA-N
MW470.53 g/mol
LogP1.25
Rot. Bonds6

About methyl 2-[[2-(dimethylsulfamoyl)phenyl]sulfonylcarbamoylamino]-4,6-dimethylpyridine-3-carboxylate

methyl 2-[[2-(dimethylsulfamoyl)phenyl]sulfonylcarbamoylamino]-4,6-dimethylpyridine-3-carboxylate (PubChem CID 14050228) has the molecular formula C18H22N4O7S2 and a molecular weight of 470.53 g/mol. Its IUPAC name is methyl 2-[[2-(dimethylsulfamoyl)phenyl]sulfonylcarbamoylamino]-4,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(dimethylsulfamoyl)phenyl]sulfonylcarbamoylamino]-4,6-dimethylpyridine-3-carboxylate
PubChem CID14050228
Molecular FormulaC18H22N4O7S2
Molecular Weight470.53 g/mol
Exact Mass470.09
IUPAC Namemethyl 2-[[2-(dimethylsulfamoyl)phenyl]sulfonylcarbamoylamino]-4,6-dimethylpyridine-3-carboxylate
SMILESCOC(=O)c1c(C)cc(C)nc1NC(=O)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H22N4O7S2/c1-11-10-12(2)19-16(15(11)17(23)29-5)20-18(24)21-30(25,26)13-8-6-7-9-14(13)31(27,28)22(3)4/h6-10H,1-5H3,(H2,19,20,21,24)
InChIKeyOLBORPFPIZWSPL-UHFFFAOYSA-N
XLogP1.25
TPSA151.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(dimethylsulfamoyl)phenyl]sulfonylcarbamoylamino]-4,6-dimethylpyridine-3-carboxylate?
The IUPAC name of methyl 2-[[2-(dimethylsulfamoyl)phenyl]sulfonylcarbamoylamino]-4,6-dimethylpyridine-3-carboxylate (CID 14050228) is methyl 2-[[2-(dimethylsulfamoyl)phenyl]sulfonylcarbamoylamino]-4,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(dimethylsulfamoyl)phenyl]sulfonylcarbamoylamino]-4,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(dimethylsulfamoyl)phenyl]sulfonylcarbamoylamino]-4,6-dimethylpyridine-3-carboxylate is COC(=O)c1c(C)cc(C)nc1NC(=O)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C.
What is the InChIKey of methyl 2-[[2-(dimethylsulfamoyl)phenyl]sulfonylcarbamoylamino]-4,6-dimethylpyridine-3-carboxylate?
The InChIKey is OLBORPFPIZWSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O7S2/c1-11-10-12(2)19-16(15(11)17(23)29-5)20-18(24)21-30(25,26)13-8-6-7-9-14(13)31(27,28)22(3)4/h6-10H,1-5H3,(H2,19,20,21,24).
What are the key properties of methyl 2-[[2-(dimethylsulfamoyl)phenyl]sulfonylcarbamoylamino]-4,6-dimethylpyridine-3-carboxylate?
methyl 2-[[2-(dimethylsulfamoyl)phenyl]sulfonylcarbamoylamino]-4,6-dimethylpyridine-3-carboxylate has a molecular weight of 470.53 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(dimethylsulfamoyl)phenyl]sulfonylcarbamoylamino]-4,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 14050228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).