5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid

C13H14N2O5S — CID 60952354

IUPAC5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H14N2O5S/c1-2-15(9-10-5-7-14-8-6-10)21(18,19)12-4-3-11(20-12)13(16)17/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyWOFPFYFKYJSCOV-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.58
Rot. Bonds6

About 5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid

5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 60952354) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID60952354
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C13H14N2O5S/c1-2-15(9-10-5-7-14-8-6-10)21(18,19)12-4-3-11(20-12)13(16)17/h3-8H,2,9H2,1H3,(H,16,17)
InChIKeyWOFPFYFKYJSCOV-UHFFFAOYSA-N
XLogP1.58
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-chlorothiophen-2-yl)methyl-ethylsulfamoyl]furan-2-carboxylic acid
CID 60954031
5-[2-ethoxyethyl(ethyl)sulfamoyl]furan-2-carboxylic acid
CID 63698098
5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950268
4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63618317
4-[[ethyl(sulfamoyl)amino]methyl]pyridine
CID 112688980
5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 61449447
3-[4-[ethyl(pyridin-4-ylmethyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 73399082
4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61138237
5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-carboxylic acid
CID 43564388
5-[butan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 43272665
2,4-dichloro-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 23988205
N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 5003248

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid (CID 60952354) is 5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid is CCN(Cc1ccncc1)S(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is WOFPFYFKYJSCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-2-15(9-10-5-7-14-8-6-10)21(18,19)12-4-3-11(20-12)13(16)17/h3-8H,2,9H2,1H3,(H,16,17).
What are the key properties of 5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid?
5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 310.33 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 60952354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).