3-(furan-3-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid

C17H14N2O5S — CID 56864492

IUPAC3-(furan-3-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(-c2ccoc2)cc(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C17H14N2O5S/c20-17(21)14-7-13(12-4-6-24-11-12)8-16(9-14)25(22,23)19-10-15-3-1-2-5-18-15/h1-9,11,19H,10H2,(H,20,21)
InChIKeyXOGHOWIMUFOOIG-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.52
Rot. Bonds6

About 3-(furan-3-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid

3-(furan-3-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid (PubChem CID 56864492) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-(furan-3-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid
PubChem CID56864492
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC Name3-(furan-3-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(-c2ccoc2)cc(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C17H14N2O5S/c20-17(21)14-7-13(12-4-6-24-11-12)8-16(9-14)25(22,23)19-10-15-3-1-2-5-18-15/h1-9,11,19H,10H2,(H,20,21)
InChIKeyXOGHOWIMUFOOIG-UHFFFAOYSA-N
XLogP2.52
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid?
The IUPAC name of 3-(furan-3-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid (CID 56864492) is 3-(furan-3-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-(furan-3-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 3-(furan-3-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid is O=C(O)c1cc(-c2ccoc2)cc(S(=O)(=O)NCc2ccccn2)c1.
What is the InChIKey of 3-(furan-3-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid?
The InChIKey is XOGHOWIMUFOOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c20-17(21)14-7-13(12-4-6-24-11-12)8-16(9-14)25(22,23)19-10-15-3-1-2-5-18-15/h1-9,11,19H,10H2,(H,20,21).
What are the key properties of 3-(furan-3-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid?
3-(furan-3-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid has a molecular weight of 358.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 56864492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).