5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid

C13H14N2O5S — CID 62804149

IUPAC5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCCc1cccnc1
InChIInChI=1S/C13H14N2O5S/c1-9-12(7-11(20-9)13(16)17)21(18,19)15-6-4-10-3-2-5-14-8-10/h2-3,5,7-8,15H,4,6H2,1H3,(H,16,17)
InChIKeyPWJYDXVKCWUUEW-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.20
Rot. Bonds6

About 5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid

5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid (PubChem CID 62804149) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid
PubChem CID62804149
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCCc1cccnc1
InChIInChI=1S/C13H14N2O5S/c1-9-12(7-11(20-9)13(16)17)21(18,19)15-6-4-10-3-2-5-14-8-10/h2-3,5,7-8,15H,4,6H2,1H3,(H,16,17)
InChIKeyPWJYDXVKCWUUEW-UHFFFAOYSA-N
XLogP1.20
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-(2-pyridin-2-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62803786
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 65232447
5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62804132
4-[2-(furan-2-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804693
5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62803418
2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 81241998
5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]furan-2-carboxylic acid
CID 114698518
2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 37265711
methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate
CID 37265699
2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3838924
2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 80712268
5-methyl-4-[2-(1-methylindazol-3-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 126781761

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid (CID 62804149) is 5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)NCCc1cccnc1.
What is the InChIKey of 5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is PWJYDXVKCWUUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-9-12(7-11(20-9)13(16)17)21(18,19)15-6-4-10-3-2-5-14-8-10/h2-3,5,7-8,15H,4,6H2,1H3,(H,16,17).
What are the key properties of 5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid?
5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 310.33 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 62804149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).