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

C12H17BrN2O5S — CID 62829355

IUPAC5-bromo-4-[(1-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCCN1CCCC(NS(=O)(=O)c2cc(C(=O)O)oc2Br)C1
InChIInChI=1S/C12H17BrN2O5S/c1-2-15-5-3-4-8(7-15)14-21(18,19)10-6-9(12(16)17)20-11(10)13/h6,8,14H,2-5,7H2,1H3,(H,16,17)
InChIKeyWPOLBEJFSIBTBX-UHFFFAOYSA-N
MW381.25 g/mol
LogP1.50
Rot. Bonds5

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

5-bromo-4-[(1-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 62829355) has the molecular formula C12H17BrN2O5S and a molecular weight of 381.25 g/mol. Its IUPAC name is 5-bromo-4-[(1-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(1-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID62829355
Molecular FormulaC12H17BrN2O5S
Molecular Weight381.25 g/mol
Exact Mass380.00
IUPAC Name5-bromo-4-[(1-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCCN1CCCC(NS(=O)(=O)c2cc(C(=O)O)oc2Br)C1
InChIInChI=1S/C12H17BrN2O5S/c1-2-15-5-3-4-8(7-15)14-21(18,19)10-6-9(12(16)17)20-11(10)13/h6,8,14H,2-5,7H2,1H3,(H,16,17)
InChIKeyWPOLBEJFSIBTBX-UHFFFAOYSA-N
XLogP1.50
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-(cyclopropylsulfamoyl)furan-2-carboxylic acid
CID 62803276
N-(1-ethylpiperidin-3-yl)-2-hydroxybenzenesulfonamide
CID 81242229
5-bromo-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
CID 61170995
4-amino-N-(1-ethylpiperidin-3-yl)-2-methylbenzenesulfonamide
CID 61169182
5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid
CID 104655236
5-bromo-4-[(2-methyloxolan-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 82725833
3-bromo-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 47350084
5-bromo-4-[(2,2-dimethylcyclopropyl)sulfamoyl]furan-2-carboxylic acid
CID 62829884
5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803810
N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide
CID 61478239
5-bromo-4-[(2,4-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
CID 63995282
2-chloro-5-cyano-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 80697990

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(1-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(1-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid (CID 62829355) is 5-bromo-4-[(1-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(1-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(1-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid is CCN1CCCC(NS(=O)(=O)c2cc(C(=O)O)oc2Br)C1.
What is the InChIKey of 5-bromo-4-[(1-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is WPOLBEJFSIBTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O5S/c1-2-15-5-3-4-8(7-15)14-21(18,19)10-6-9(12(16)17)20-11(10)13/h6,8,14H,2-5,7H2,1H3,(H,16,17).
What are the key properties of 5-bromo-4-[(1-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[(1-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 381.25 g/mol, XLogP of 1.50, 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-ethylpiperidin-3-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62829355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).