4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid

C11H13N3O5S — CID 65232447

IUPAC4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C11H13N3O5S/c1-7-10(4-9(19-7)11(15)16)20(17,18)14-3-2-8-5-12-6-13-8/h4-6,14H,2-3H2,1H3,(H,12,13)(H,15,16)
InChIKeyVERYTDNSSIYDCJ-UHFFFAOYSA-N
MW299.31 g/mol
LogP0.53
Rot. Bonds6

About 4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid

4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 65232447) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID65232447
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C11H13N3O5S/c1-7-10(4-9(19-7)11(15)16)20(17,18)14-3-2-8-5-12-6-13-8/h4-6,14H,2-3H2,1H3,(H,12,13)(H,15,16)
InChIKeyVERYTDNSSIYDCJ-UHFFFAOYSA-N
XLogP0.53
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-(2-methylsulfanylethylsulfamoyl)furan-2-carboxylic acid
CID 62804483
5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62804149
5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid
CID 62803249
5-methyl-4-(2-pyridin-2-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62803786
4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62803424
5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62803418
5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62804132
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 65231835
5-methyl-4-(pent-3-ynylsulfamoyl)furan-2-carboxylic acid
CID 116642774
4-(2-ethylsulfinylethylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 113494489
4-(hex-5-ynylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 106209053
4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805420

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid (CID 65232447) is 4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)NCCc1cnc[nH]1.
What is the InChIKey of 4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is VERYTDNSSIYDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-7-10(4-9(19-7)11(15)16)20(17,18)14-3-2-8-5-12-6-13-8/h4-6,14H,2-3H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 65232447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).