methyl 4-methoxy-3-(pyridin-3-ylsulfamoyl)benzoate

C14H14N2O5S — CID 56684281

IUPACmethyl 4-methoxy-3-(pyridin-3-ylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cccnc2)c1
InChIInChI=1S/C14H14N2O5S/c1-20-12-6-5-10(14(17)21-2)8-13(12)22(18,19)16-11-4-3-7-15-9-11/h3-9,16H,1-2H3
InChIKeyOGOXRPWCVJABIF-UHFFFAOYSA-N
MW322.34 g/mol
LogP1.68
Rot. Bonds5

About methyl 4-methoxy-3-(pyridin-3-ylsulfamoyl)benzoate

methyl 4-methoxy-3-(pyridin-3-ylsulfamoyl)benzoate (PubChem CID 56684281) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is methyl 4-methoxy-3-(pyridin-3-ylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-(pyridin-3-ylsulfamoyl)benzoate
PubChem CID56684281
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Namemethyl 4-methoxy-3-(pyridin-3-ylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cccnc2)c1
InChIInChI=1S/C14H14N2O5S/c1-20-12-6-5-10(14(17)21-2)8-13(12)22(18,19)16-11-4-3-7-15-9-11/h3-9,16H,1-2H3
InChIKeyOGOXRPWCVJABIF-UHFFFAOYSA-N
XLogP1.68
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-(pyridin-3-ylsulfamoyl)benzoate?
The IUPAC name of methyl 4-methoxy-3-(pyridin-3-ylsulfamoyl)benzoate (CID 56684281) is methyl 4-methoxy-3-(pyridin-3-ylsulfamoyl)benzoate.
What is the SMILES notation for methyl 4-methoxy-3-(pyridin-3-ylsulfamoyl)benzoate?
The canonical SMILES for methyl 4-methoxy-3-(pyridin-3-ylsulfamoyl)benzoate is COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cccnc2)c1.
What is the InChIKey of methyl 4-methoxy-3-(pyridin-3-ylsulfamoyl)benzoate?
The InChIKey is OGOXRPWCVJABIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-20-12-6-5-10(14(17)21-2)8-13(12)22(18,19)16-11-4-3-7-15-9-11/h3-9,16H,1-2H3.
What are the key properties of methyl 4-methoxy-3-(pyridin-3-ylsulfamoyl)benzoate?
methyl 4-methoxy-3-(pyridin-3-ylsulfamoyl)benzoate has a molecular weight of 322.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-(pyridin-3-ylsulfamoyl)benzoate is sourced from PubChem (CID 56684281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).