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

C13H14N2O5S — CID 62803786

IUPAC5-methyl-4-(2-pyridin-2-ylethylsulfamoyl)furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCCc1ccccn1
InChIInChI=1S/C13H14N2O5S/c1-9-12(8-11(20-9)13(16)17)21(18,19)15-7-5-10-4-2-3-6-14-10/h2-4,6,8,15H,5,7H2,1H3,(H,16,17)
InChIKeyFEMVSRXBWYVQFY-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.20
Rot. Bonds6

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

5-methyl-4-(2-pyridin-2-ylethylsulfamoyl)furan-2-carboxylic acid (PubChem CID 62803786) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-methyl-4-(2-pyridin-2-ylethylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(2-pyridin-2-ylethylsulfamoyl)furan-2-carboxylic acid
PubChem CID62803786
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name5-methyl-4-(2-pyridin-2-ylethylsulfamoyl)furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCCc1ccccn1
InChIInChI=1S/C13H14N2O5S/c1-9-12(8-11(20-9)13(16)17)21(18,19)15-7-5-10-4-2-3-6-14-10/h2-4,6,8,15H,5,7H2,1H3,(H,16,17)
InChIKeyFEMVSRXBWYVQFY-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-3-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62804149
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-2-ylethyl)benzenesulfonamide
CID 81241460
4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 139003545
5-methyl-4-(2-methylsulfanylethylsulfamoyl)furan-2-carboxylic acid
CID 62804483
5-methyl-4-[2-(1-methylindazol-3-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 126781761
5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62804132
5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid
CID 62803249
5-methyl-4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid
CID 81392372
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 65232447
4-(2-ethylsulfinylethylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 113494489

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-pyridin-2-ylethylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(2-pyridin-2-ylethylsulfamoyl)furan-2-carboxylic acid (CID 62803786) is 5-methyl-4-(2-pyridin-2-ylethylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(2-pyridin-2-ylethylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(2-pyridin-2-ylethylsulfamoyl)furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)NCCc1ccccn1.
What is the InChIKey of 5-methyl-4-(2-pyridin-2-ylethylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is FEMVSRXBWYVQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-9-12(8-11(20-9)13(16)17)21(18,19)15-7-5-10-4-2-3-6-14-10/h2-4,6,8,15H,5,7H2,1H3,(H,16,17).
What are the key properties of 5-methyl-4-(2-pyridin-2-ylethylsulfamoyl)furan-2-carboxylic acid?
5-methyl-4-(2-pyridin-2-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-2-ylethylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 62803786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).