2-methoxy-5-(pyridin-3-ylsulfamoyl)benzoic acid

C13H12N2O5S — CID 711314

IUPAC2-methoxy-5-(pyridin-3-ylsulfamoyl)benzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1C(=O)O
InChIInChI=1S/C13H12N2O5S/c1-20-12-5-4-10(7-11(12)13(16)17)21(18,19)15-9-3-2-6-14-8-9/h2-8,15H,1H3,(H,16,17)
InChIKeyOFHMRNVYYHVUGL-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.59
Rot. Bonds5

About 2-methoxy-5-(pyridin-3-ylsulfamoyl)benzoic acid

2-methoxy-5-(pyridin-3-ylsulfamoyl)benzoic acid (PubChem CID 711314) has the molecular formula C13H12N2O5S and a molecular weight of 308.31 g/mol. Its IUPAC name is 2-methoxy-5-(pyridin-3-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-(pyridin-3-ylsulfamoyl)benzoic acid
PubChem CID711314
Molecular FormulaC13H12N2O5S
Molecular Weight308.31 g/mol
Exact Mass308.05
IUPAC Name2-methoxy-5-(pyridin-3-ylsulfamoyl)benzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1C(=O)O
InChIInChI=1S/C13H12N2O5S/c1-20-12-5-4-10(7-11(12)13(16)17)21(18,19)15-9-3-2-6-14-8-9/h2-8,15H,1H3,(H,16,17)
InChIKeyOFHMRNVYYHVUGL-UHFFFAOYSA-N
XLogP1.59
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(pyridin-3-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-methoxy-5-(pyridin-3-ylsulfamoyl)benzoic acid (CID 711314) is 2-methoxy-5-(pyridin-3-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-methoxy-5-(pyridin-3-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-methoxy-5-(pyridin-3-ylsulfamoyl)benzoic acid is COc1ccc(S(=O)(=O)Nc2cccnc2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-(pyridin-3-ylsulfamoyl)benzoic acid?
The InChIKey is OFHMRNVYYHVUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S/c1-20-12-5-4-10(7-11(12)13(16)17)21(18,19)15-9-3-2-6-14-8-9/h2-8,15H,1H3,(H,16,17).
What are the key properties of 2-methoxy-5-(pyridin-3-ylsulfamoyl)benzoic acid?
2-methoxy-5-(pyridin-3-ylsulfamoyl)benzoic acid has a molecular weight of 308.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(pyridin-3-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 711314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).