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

C12H12N2O5S — CID 62804132

IUPAC5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCc1ccncc1
InChIInChI=1S/C12H12N2O5S/c1-8-11(6-10(19-8)12(15)16)20(17,18)14-7-9-2-4-13-5-3-9/h2-6,14H,7H2,1H3,(H,15,16)
InChIKeyWLIRUYAFZWAOSG-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.16
Rot. Bonds5

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

5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid (PubChem CID 62804132) has the molecular formula C12H12N2O5S and a molecular weight of 296.30 g/mol. Its IUPAC name is 5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid
PubChem CID62804132
Molecular FormulaC12H12N2O5S
Molecular Weight296.30 g/mol
Exact Mass296.05
IUPAC Name5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCc1ccncc1
InChIInChI=1S/C12H12N2O5S/c1-8-11(6-10(19-8)12(15)16)20(17,18)14-7-9-2-4-13-5-3-9/h2-6,14H,7H2,1H3,(H,15,16)
InChIKeyWLIRUYAFZWAOSG-UHFFFAOYSA-N
XLogP1.16
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62803246
5-methyl-4-[(3-methyl-4-pyridinyl)methylsulfamoyl]furan-2-carboxylic acid
CID 114698518
5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803440
4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 139003545
4-[(3-bromophenyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804872
4-[(2-bromophenyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805041
5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62804149
5-methyl-4-(2-methylsulfanylethylsulfamoyl)furan-2-carboxylic acid
CID 62804483
5-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 63280665
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 154742165
5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid
CID 62803249
5-methyl-4-(2-pyridin-2-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62803786

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid (CID 62804132) is 5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)NCc1ccncc1.
What is the InChIKey of 5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is WLIRUYAFZWAOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S/c1-8-11(6-10(19-8)12(15)16)20(17,18)14-7-9-2-4-13-5-3-9/h2-6,14H,7H2,1H3,(H,15,16).
What are the key properties of 5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid?
5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 296.30 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 62804132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).