2,5-dimethyl-4-(pyridin-2-ylsulfamoyl)furan-3-carboxylic acid

C12H12N2O5S — CID 43137818

IUPAC2,5-dimethyl-4-(pyridin-2-ylsulfamoyl)furan-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)Nc2ccccn2)c1C(=O)O
InChIInChI=1S/C12H12N2O5S/c1-7-10(12(15)16)11(8(2)19-7)20(17,18)14-9-5-3-4-6-13-9/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyTVPZOXMIMYFYDD-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.79
Rot. Bonds4

About 2,5-dimethyl-4-(pyridin-2-ylsulfamoyl)furan-3-carboxylic acid

2,5-dimethyl-4-(pyridin-2-ylsulfamoyl)furan-3-carboxylic acid (PubChem CID 43137818) has the molecular formula C12H12N2O5S and a molecular weight of 296.30 g/mol. Its IUPAC name is 2,5-dimethyl-4-(pyridin-2-ylsulfamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-4-(pyridin-2-ylsulfamoyl)furan-3-carboxylic acid
PubChem CID43137818
Molecular FormulaC12H12N2O5S
Molecular Weight296.30 g/mol
Exact Mass296.05
IUPAC Name2,5-dimethyl-4-(pyridin-2-ylsulfamoyl)furan-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)Nc2ccccn2)c1C(=O)O
InChIInChI=1S/C12H12N2O5S/c1-7-10(12(15)16)11(8(2)19-7)20(17,18)14-9-5-3-4-6-13-9/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyTVPZOXMIMYFYDD-UHFFFAOYSA-N
XLogP1.79
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(pyridin-2-ylsulfamoyl)furan-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-4-(pyridin-2-ylsulfamoyl)furan-3-carboxylic acid (CID 43137818) is 2,5-dimethyl-4-(pyridin-2-ylsulfamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-4-(pyridin-2-ylsulfamoyl)furan-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-4-(pyridin-2-ylsulfamoyl)furan-3-carboxylic acid is Cc1oc(C)c(S(=O)(=O)Nc2ccccn2)c1C(=O)O.
What is the InChIKey of 2,5-dimethyl-4-(pyridin-2-ylsulfamoyl)furan-3-carboxylic acid?
The InChIKey is TVPZOXMIMYFYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S/c1-7-10(12(15)16)11(8(2)19-7)20(17,18)14-9-5-3-4-6-13-9/h3-6H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2,5-dimethyl-4-(pyridin-2-ylsulfamoyl)furan-3-carboxylic acid?
2,5-dimethyl-4-(pyridin-2-ylsulfamoyl)furan-3-carboxylic acid has a molecular weight of 296.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(pyridin-2-ylsulfamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 43137818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).