4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid

C10H15NO7S — CID 62805420

IUPAC4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCCOCCO
InChIInChI=1S/C10H15NO7S/c1-7-9(6-8(18-7)10(13)14)19(15,16)11-2-4-17-5-3-12/h6,11-12H,2-5H2,1H3,(H,13,14)
InChIKeyAGCCEYUBWQBMOD-UHFFFAOYSA-N
MW293.30 g/mol
LogP-0.43
Rot. Bonds8

About 4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid

4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 62805420) has the molecular formula C10H15NO7S and a molecular weight of 293.30 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID62805420
Molecular FormulaC10H15NO7S
Molecular Weight293.30 g/mol
Exact Mass293.06
IUPAC Name4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NCCOCCO
InChIInChI=1S/C10H15NO7S/c1-7-9(6-8(18-7)10(13)14)19(15,16)11-2-4-17-5-3-12/h6,11-12H,2-5H2,1H3,(H,13,14)
InChIKeyAGCCEYUBWQBMOD-UHFFFAOYSA-N
XLogP-0.43
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-4-[2-(2-methylpropoxy)ethylsulfamoyl]furan-2-carboxylic acid
CID 104654561
4-(3-ethoxypropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62803424
5-methyl-4-(2-methylsulfanylethylsulfamoyl)furan-2-carboxylic acid
CID 62804483
5-methyl-4-(pentylsulfamoyl)furan-2-carboxylic acid
CID 62803249
3-[2-(2-hydroxyethoxy)ethylsulfamoyl]-4,5-dimethylbenzoic acid
CID 62498475
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
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62803246
3-bromo-5-[2-(2-hydroxyethoxy)ethylsulfamoyl]-4-methylbenzoic acid
CID 81479670
4-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 106252767
5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62803418

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid (CID 62805420) is 4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)NCCOCCO.
What is the InChIKey of 4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is AGCCEYUBWQBMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO7S/c1-7-9(6-8(18-7)10(13)14)19(15,16)11-2-4-17-5-3-12/h6,11-12H,2-5H2,1H3,(H,13,14).
What are the key properties of 4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 293.30 g/mol, XLogP of -0.43, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 62805420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).