5-[butan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid

C10H15NO5S — CID 43272665

IUPAC5-[butan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid
SMILESCCC(C)N(C)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H15NO5S/c1-4-7(2)11(3)17(14,15)9-6-5-8(16-9)10(12)13/h5-7H,4H2,1-3H3,(H,12,13)
InChIKeyQYOLEHSZFSSQCH-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.40
Rot. Bonds5

About 5-[butan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid

5-[butan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 43272665) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-[butan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[butan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID43272665
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Name5-[butan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid
SMILESCCC(C)N(C)S(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H15NO5S/c1-4-7(2)11(3)17(14,15)9-6-5-8(16-9)10(12)13/h5-7H,4H2,1-3H3,(H,12,13)
InChIKeyQYOLEHSZFSSQCH-UHFFFAOYSA-N
XLogP1.40
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-methoxy-2-oxoethyl)-propan-2-ylsulfamoyl]furan-2-carboxylic acid
CID 60951869
5-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 43149833
5-[cyclopropyl(2-methylpropyl)sulfamoyl]furan-2-carboxylic acid
CID 60951974
5-[2-cyanoethyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid
CID 43578645
5-[1-[butan-2-yl(ethyl)amino]ethyl]furan-2-carboxylic acid
CID 79083835
5-[cyclohexyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 43149844
5-[3-methoxypropyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62986254
5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
5-[ethyl(pyridin-4-ylmethyl)sulfamoyl]furan-2-carboxylic acid
CID 60952354
5-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 63207582
5-[2-ethoxyethyl(ethyl)sulfamoyl]furan-2-carboxylic acid
CID 63698098
5-[(4-bromothiophen-2-yl)methyl-methylsulfamoyl]furan-2-carboxylic acid
CID 60951027

Frequently Asked Questions

What is the IUPAC name of 5-[butan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[butan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid (CID 43272665) is 5-[butan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[butan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[butan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid is CCC(C)N(C)S(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[butan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is QYOLEHSZFSSQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S/c1-4-7(2)11(3)17(14,15)9-6-5-8(16-9)10(12)13/h5-7H,4H2,1-3H3,(H,12,13).
What are the key properties of 5-[butan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid?
5-[butan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 261.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 43272665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).