5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid

C11H15BrN2O6S — CID 79079920

IUPAC5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid
SMILESCN1CCOC(CNS(=O)(=O)c2cc(C(=O)O)oc2Br)C1
InChIInChI=1S/C11H15BrN2O6S/c1-14-2-3-19-7(6-14)5-13-21(17,18)9-4-8(11(15)16)20-10(9)12/h4,7,13H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyGKQPFURNHHVXHO-UHFFFAOYSA-N
MW383.22 g/mol
LogP0.35
Rot. Bonds5

About 5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid

5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid (PubChem CID 79079920) has the molecular formula C11H15BrN2O6S and a molecular weight of 383.22 g/mol. Its IUPAC name is 5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid
PubChem CID79079920
Molecular FormulaC11H15BrN2O6S
Molecular Weight383.22 g/mol
Exact Mass381.98
IUPAC Name5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid
SMILESCN1CCOC(CNS(=O)(=O)c2cc(C(=O)O)oc2Br)C1
InChIInChI=1S/C11H15BrN2O6S/c1-14-2-3-19-7(6-14)5-13-21(17,18)9-4-8(11(15)16)20-10(9)12/h4,7,13H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyGKQPFURNHHVXHO-UHFFFAOYSA-N
XLogP0.35
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.22
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 81245074
5-amino-4-bromo-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 114625895
4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 116528706
5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803810
4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 106997035
5-bromo-4-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 114503127
2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083271
5-amino-2,3-difluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79080372
2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79078860
4-(ethylaminomethyl)-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-sulfonamide
CID 106070574
5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid
CID 62803988
5-bromo-4-[3-(methanesulfonamido)propylsulfamoyl]furan-2-carboxylic acid
CID 106334960

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid (CID 79079920) is 5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid is CN1CCOC(CNS(=O)(=O)c2cc(C(=O)O)oc2Br)C1.
What is the InChIKey of 5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is GKQPFURNHHVXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O6S/c1-14-2-3-19-7(6-14)5-13-21(17,18)9-4-8(11(15)16)20-10(9)12/h4,7,13H,2-3,5-6H2,1H3,(H,15,16).
What are the key properties of 5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 383.22 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 79079920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).