5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid

C11H14BrNO5S2 — CID 104655236

IUPAC5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid
SMILESCSC1CCC(NS(=O)(=O)c2cc(C(=O)O)oc2Br)C1
InChIInChI=1S/C11H14BrNO5S2/c1-19-7-3-2-6(4-7)13-20(16,17)9-5-8(11(14)15)18-10(9)12/h5-7,13H,2-4H2,1H3,(H,14,15)
InChIKeyFFJZPWQWZQJNHU-UHFFFAOYSA-N
MW384.27 g/mol
LogP2.30
Rot. Bonds5

About 5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 104655236) has the molecular formula C11H14BrNO5S2 and a molecular weight of 384.27 g/mol. Its IUPAC name is 5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID104655236
Molecular FormulaC11H14BrNO5S2
Molecular Weight384.27 g/mol
Exact Mass382.95
IUPAC Name5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid
SMILESCSC1CCC(NS(=O)(=O)c2cc(C(=O)O)oc2Br)C1
InChIInChI=1S/C11H14BrNO5S2/c1-19-7-3-2-6(4-7)13-20(16,17)9-5-8(11(14)15)18-10(9)12/h5-7,13H,2-4H2,1H3,(H,14,15)
InChIKeyFFJZPWQWZQJNHU-UHFFFAOYSA-N
XLogP2.30
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid
CID 62803276
2-bromo-5-(methylaminomethyl)-N-(3-methylsulfanylcyclopentyl)furan-3-sulfonamide
CID 106092238
5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
CID 63995282
5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 82725833
5-bromo-4-[(2,2-dimethylcyclopropyl)sulfamoyl]furan-2-carboxylic acid
CID 62829884
5-(aminomethyl)-2-bromo-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106091344
5-bromo-4-[(1-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 62829355
4-(cyclopropylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 62805751
5-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 80714938
5-(aminomethyl)-2-bromo-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106090773
2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide
CID 106001344
5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 114503127

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid (CID 104655236) is 5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid is CSC1CCC(NS(=O)(=O)c2cc(C(=O)O)oc2Br)C1.
What is the InChIKey of 5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is FFJZPWQWZQJNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO5S2/c1-19-7-3-2-6(4-7)13-20(16,17)9-5-8(11(14)15)18-10(9)12/h5-7,13H,2-4H2,1H3,(H,14,15).
What are the key properties of 5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 384.27 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 104655236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).