5-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid

C11H14BrNO6S — CID 62829523

IUPAC5-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1cc(C(=O)O)oc1Br)C1CCCO1
InChIInChI=1S/C11H14BrNO6S/c1-6(7-3-2-4-18-7)13-20(16,17)9-5-8(11(14)15)19-10(9)12/h5-7,13H,2-4H2,1H3,(H,14,15)
InChIKeyWIHCSUOIBHWUFF-UHFFFAOYSA-N
MW368.21 g/mol
LogP1.59
Rot. Bonds5

About 5-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid

5-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid (PubChem CID 62829523) has the molecular formula C11H14BrNO6S and a molecular weight of 368.21 g/mol. Its IUPAC name is 5-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid
PubChem CID62829523
Molecular FormulaC11H14BrNO6S
Molecular Weight368.21 g/mol
Exact Mass366.97
IUPAC Name5-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid
SMILESCC(NS(=O)(=O)c1cc(C(=O)O)oc1Br)C1CCCO1
InChIInChI=1S/C11H14BrNO6S/c1-6(7-3-2-4-18-7)13-20(16,17)9-5-8(11(14)15)19-10(9)12/h5-7,13H,2-4H2,1H3,(H,14,15)
InChIKeyWIHCSUOIBHWUFF-UHFFFAOYSA-N
XLogP1.59
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.21
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 43533875
2-hydroxy-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 81241326
5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 82725833
5-bromo-4-(3-ethylpentan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 63843662
5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803810
5-bromo-4-(5-methylhexan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62828655
5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid
CID 62803276
2-amino-5-bromo-N-[1-(oxolan-2-yl)ethyl]pyridine-3-sulfonamide
CID 55043444
2-fluoro-5-[1-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 43421894
5-bromo-4-(pent-4-yn-2-ylsulfamoyl)furan-2-carboxylic acid
CID 113477046
3-amino-4-bromo-5-chloro-2-fluoro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 103077280
methyl 3-chloro-4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]sulfamoyl]benzoate
CID 94812176

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid (CID 62829523) is 5-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid is CC(NS(=O)(=O)c1cc(C(=O)O)oc1Br)C1CCCO1.
What is the InChIKey of 5-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is WIHCSUOIBHWUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO6S/c1-6(7-3-2-4-18-7)13-20(16,17)9-5-8(11(14)15)19-10(9)12/h5-7,13H,2-4H2,1H3,(H,14,15).
What are the key properties of 5-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 368.21 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[1-(oxolan-2-yl)ethylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62829523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).