5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid

C11H17NO5S — CID 62803249

IUPAC5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid
SMILESCCCCCNS(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C11H17NO5S/c1-3-4-5-6-12-18(15,16)10-7-9(11(13)14)17-8(10)2/h7,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyKUZSYEDEMSWSBR-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.75
Rot. Bonds7

About 5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid

5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid (PubChem CID 62803249) has the molecular formula C11H17NO5S and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid
PubChem CID62803249
Molecular FormulaC11H17NO5S
Molecular Weight275.33 g/mol
Exact Mass275.08
IUPAC Name5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid
SMILESCCCCCNS(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C11H17NO5S/c1-3-4-5-6-12-18(15,16)10-7-9(11(13)14)17-8(10)2/h7,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyKUZSYEDEMSWSBR-UHFFFAOYSA-N
XLogP1.75
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4-(2-methylsulfanylethylsulfamoyl)furan-2-carboxylic acid
CID 62804483
4-(hex-5-ynylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 106209053
4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62803424
4-(2-ethylsulfinylethylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 113494489
5-methyl-4-(pent-3-ynylsulfamoyl)furan-2-carboxylic acid
CID 116642774
4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805420
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62803246
5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid
CID 104654561
4-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 106252767
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
5-methyl-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 62803052

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid (CID 62803249) is 5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid is CCCCCNS(=O)(=O)c1cc(C(=O)O)oc1C.
What is the InChIKey of 5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid?
The InChIKey is KUZSYEDEMSWSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S/c1-3-4-5-6-12-18(15,16)10-7-9(11(13)14)17-8(10)2/h7,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid?
5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 62803249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).