5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid

C12H17BrN2O5S — CID 114503127

IUPAC5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCC1CN(C)CCC1NS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C12H17BrN2O5S/c1-7-6-15(2)4-3-8(7)14-21(18,19)10-5-9(12(16)17)20-11(10)13/h5,7-8,14H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyGBFVYKDSQCMDJX-UHFFFAOYSA-N
MW381.25 g/mol
LogP1.36
Rot. Bonds4

About 5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 114503127) has the molecular formula C12H17BrN2O5S and a molecular weight of 381.25 g/mol. Its IUPAC name is 5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID114503127
Molecular FormulaC12H17BrN2O5S
Molecular Weight381.25 g/mol
Exact Mass380.00
IUPAC Name5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCC1CN(C)CCC1NS(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C12H17BrN2O5S/c1-7-6-15(2)4-3-8(7)14-21(18,19)10-5-9(12(16)17)20-11(10)13/h5,7-8,14H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyGBFVYKDSQCMDJX-UHFFFAOYSA-N
XLogP1.36
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 114503126
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-(cyclopropylsulfamoyl)furan-2-carboxylic acid
CID 62803276
2,5-dibromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzenesulfonamide
CID 115698504
2-bromo-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 113228817
5-bromo-4-[(2,2-dimethylcyclopropyl)sulfamoyl]furan-2-carboxylic acid
CID 62829884
5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 79079920
5-bromo-4-[(1-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 62829355
4-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 114383117
5-bromo-4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 80714938
4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 114502894

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid (CID 114503127) is 5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid is CC1CN(C)CCC1NS(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is GBFVYKDSQCMDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O5S/c1-7-6-15(2)4-3-8(7)14-21(18,19)10-5-9(12(16)17)20-11(10)13/h5,7-8,14H,3-4,6H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 381.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 114503127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).