5-bromo-4-[methyl(pentyl)sulfamoyl]furan-2-carboxylic acid

C11H16BrNO5S — CID 62803983

IUPAC5-bromo-4-[methyl(pentyl)sulfamoyl]furan-2-carboxylic acid
SMILESCCCCCN(C)S(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C11H16BrNO5S/c1-3-4-5-6-13(2)19(16,17)9-7-8(11(14)15)18-10(9)12/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyCKMBNJBDBCISNU-UHFFFAOYSA-N
MW354.22 g/mol
LogP2.55
Rot. Bonds7

About 5-bromo-4-[methyl(pentyl)sulfamoyl]furan-2-carboxylic acid

5-bromo-4-[methyl(pentyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 62803983) has the molecular formula C11H16BrNO5S and a molecular weight of 354.22 g/mol. Its IUPAC name is 5-bromo-4-[methyl(pentyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-[methyl(pentyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID62803983
Molecular FormulaC11H16BrNO5S
Molecular Weight354.22 g/mol
Exact Mass352.99
IUPAC Name5-bromo-4-[methyl(pentyl)sulfamoyl]furan-2-carboxylic acid
SMILESCCCCCN(C)S(=O)(=O)c1cc(C(=O)O)oc1Br
InChIInChI=1S/C11H16BrNO5S/c1-3-4-5-6-13(2)19(16,17)9-7-8(11(14)15)18-10(9)12/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyCKMBNJBDBCISNU-UHFFFAOYSA-N
XLogP2.55
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-[pentyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid
CID 62831095
5-bromo-4-(dimethylsulfamoyl)furan-2-carboxylic acid
CID 62805600
5-methyl-4-[methyl(propyl)sulfamoyl]furan-2-carboxylic acid
CID 62804138
5-bromo-4-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62829354
5-bromo-4-[3,3-dimethylbutan-2-yl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62830573
5-bromo-4-[cyclobutyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 104656520
5-bromo-4-[cyclopentyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62803816
3-[methyl(pentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43294757
3-fluoro-4-methyl-5-[methyl(pentyl)sulfamoyl]benzoic acid
CID 43510508
4-bromo-2-ethyl-N-methyl-N-pentylbenzenesulfonamide
CID 3592900
5-bromo-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]furan-2-carboxylic acid
CID 62803988
5-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]furan-2-carboxylic acid
CID 107479013

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[methyl(pentyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-bromo-4-[methyl(pentyl)sulfamoyl]furan-2-carboxylic acid (CID 62803983) is 5-bromo-4-[methyl(pentyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-[methyl(pentyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-[methyl(pentyl)sulfamoyl]furan-2-carboxylic acid is CCCCCN(C)S(=O)(=O)c1cc(C(=O)O)oc1Br.
What is the InChIKey of 5-bromo-4-[methyl(pentyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is CKMBNJBDBCISNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO5S/c1-3-4-5-6-13(2)19(16,17)9-7-8(11(14)15)18-10(9)12/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-4-[methyl(pentyl)sulfamoyl]furan-2-carboxylic acid?
5-bromo-4-[methyl(pentyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 354.22 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[methyl(pentyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62803983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).