4-(4-hydroxybutan-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid

C10H15NO6S — CID 83177359

IUPAC4-(4-hydroxybutan-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NC(C)CCO
InChIInChI=1S/C10H15NO6S/c1-6(3-4-12)11-18(15,16)9-5-8(10(13)14)17-7(9)2/h5-6,11-12H,3-4H2,1-2H3,(H,13,14)
InChIKeyZXHFJEOYMWDZHE-UHFFFAOYSA-N
MW277.30 g/mol
LogP0.34
Rot. Bonds6

About 4-(4-hydroxybutan-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid

4-(4-hydroxybutan-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid (PubChem CID 83177359) has the molecular formula C10H15NO6S and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-(4-hydroxybutan-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-hydroxybutan-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid
PubChem CID83177359
Molecular FormulaC10H15NO6S
Molecular Weight277.30 g/mol
Exact Mass277.06
IUPAC Name4-(4-hydroxybutan-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)NC(C)CCO
InChIInChI=1S/C10H15NO6S/c1-6(3-4-12)11-18(15,16)9-5-8(10(13)14)17-7(9)2/h5-6,11-12H,3-4H2,1-2H3,(H,13,14)
InChIKeyZXHFJEOYMWDZHE-UHFFFAOYSA-N
XLogP0.34
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 62803052
4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 55119920
5-bromo-4-(5-methylhexan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62828655
3-(4-hydroxybutan-2-ylsulfamoyl)-4,5-dimethylbenzoic acid
CID 83176295
4-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 103223772
5-methyl-4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid
CID 81392372
5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 64604213
4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 106168460
4-[2-(2-hydroxyethoxy)ethylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805420
4-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 106252767
5-methyl-4-(2-methylsulfanylethylsulfamoyl)furan-2-carboxylic acid
CID 62804483
4-[[4-(hydroxymethyl)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 115778042

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybutan-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-(4-hydroxybutan-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid (CID 83177359) is 4-(4-hydroxybutan-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-(4-hydroxybutan-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-(4-hydroxybutan-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)NC(C)CCO.
What is the InChIKey of 4-(4-hydroxybutan-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid?
The InChIKey is ZXHFJEOYMWDZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO6S/c1-6(3-4-12)11-18(15,16)9-5-8(10(13)14)17-7(9)2/h5-6,11-12H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 4-(4-hydroxybutan-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid?
4-(4-hydroxybutan-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid has a molecular weight of 277.30 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybutan-2-ylsulfamoyl)-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 83177359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).