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

C13H14N2O5S — CID 43137838

IUPAC2,5-dimethyl-4-(pyridin-3-ylmethylsulfamoyl)furan-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)NCc2cccnc2)c1C(=O)O
InChIInChI=1S/C13H14N2O5S/c1-8-11(13(16)17)12(9(2)20-8)21(18,19)15-7-10-4-3-5-14-6-10/h3-6,15H,7H2,1-2H3,(H,16,17)
InChIKeyPXBXPYSGBHNHFD-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.47
Rot. Bonds5

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

2,5-dimethyl-4-(pyridin-3-ylmethylsulfamoyl)furan-3-carboxylic acid (PubChem CID 43137838) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 2,5-dimethyl-4-(pyridin-3-ylmethylsulfamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-4-(pyridin-3-ylmethylsulfamoyl)furan-3-carboxylic acid
PubChem CID43137838
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name2,5-dimethyl-4-(pyridin-3-ylmethylsulfamoyl)furan-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)NCc2cccnc2)c1C(=O)O
InChIInChI=1S/C13H14N2O5S/c1-8-11(13(16)17)12(9(2)20-8)21(18,19)15-7-10-4-3-5-14-6-10/h3-6,15H,7H2,1-2H3,(H,16,17)
InChIKeyPXBXPYSGBHNHFD-UHFFFAOYSA-N
XLogP1.47
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.47
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-3-ylmethylsulfamoyl)furan-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-4-(pyridin-3-ylmethylsulfamoyl)furan-3-carboxylic acid (CID 43137838) is 2,5-dimethyl-4-(pyridin-3-ylmethylsulfamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-4-(pyridin-3-ylmethylsulfamoyl)furan-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-4-(pyridin-3-ylmethylsulfamoyl)furan-3-carboxylic acid is Cc1oc(C)c(S(=O)(=O)NCc2cccnc2)c1C(=O)O.
What is the InChIKey of 2,5-dimethyl-4-(pyridin-3-ylmethylsulfamoyl)furan-3-carboxylic acid?
The InChIKey is PXBXPYSGBHNHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-8-11(13(16)17)12(9(2)20-8)21(18,19)15-7-10-4-3-5-14-6-10/h3-6,15H,7H2,1-2H3,(H,16,17).
What are the key properties of 2,5-dimethyl-4-(pyridin-3-ylmethylsulfamoyl)furan-3-carboxylic acid?
2,5-dimethyl-4-(pyridin-3-ylmethylsulfamoyl)furan-3-carboxylic acid has a molecular weight of 310.33 g/mol, XLogP of 1.47, 5 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-3-ylmethylsulfamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 43137838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).