5-bromo-N-[methyl(propyl)sulfamoyl]furan-3-carboxamide

C9H13BrN2O4S — CID 71967961

IUPAC5-bromo-N-[methyl(propyl)sulfamoyl]furan-3-carboxamide
SMILESCCCN(C)S(=O)(=O)NC(=O)c1coc(Br)c1
InChIInChI=1S/C9H13BrN2O4S/c1-3-4-12(2)17(14,15)11-9(13)7-5-8(10)16-6-7/h5-6H,3-4H2,1-2H3,(H,11,13)
InChIKeyCFQWOHBOGNAOQN-UHFFFAOYSA-N
MW325.18 g/mol
LogP1.36
Rot. Bonds5

About 5-bromo-N-[methyl(propyl)sulfamoyl]furan-3-carboxamide

5-bromo-N-[methyl(propyl)sulfamoyl]furan-3-carboxamide (PubChem CID 71967961) has the molecular formula C9H13BrN2O4S and a molecular weight of 325.18 g/mol. Its IUPAC name is 5-bromo-N-[methyl(propyl)sulfamoyl]furan-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[methyl(propyl)sulfamoyl]furan-3-carboxamide
PubChem CID71967961
Molecular FormulaC9H13BrN2O4S
Molecular Weight325.18 g/mol
Exact Mass323.98
IUPAC Name5-bromo-N-[methyl(propyl)sulfamoyl]furan-3-carboxamide
SMILESCCCN(C)S(=O)(=O)NC(=O)c1coc(Br)c1
InChIInChI=1S/C9H13BrN2O4S/c1-3-4-12(2)17(14,15)11-9(13)7-5-8(10)16-6-7/h5-6H,3-4H2,1-2H3,(H,11,13)
InChIKeyCFQWOHBOGNAOQN-UHFFFAOYSA-N
XLogP1.36
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[methyl(propyl)sulfamoyl]furan-3-carboxamide?
The IUPAC name of 5-bromo-N-[methyl(propyl)sulfamoyl]furan-3-carboxamide (CID 71967961) is 5-bromo-N-[methyl(propyl)sulfamoyl]furan-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[methyl(propyl)sulfamoyl]furan-3-carboxamide?
The canonical SMILES for 5-bromo-N-[methyl(propyl)sulfamoyl]furan-3-carboxamide is CCCN(C)S(=O)(=O)NC(=O)c1coc(Br)c1.
What is the InChIKey of 5-bromo-N-[methyl(propyl)sulfamoyl]furan-3-carboxamide?
The InChIKey is CFQWOHBOGNAOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O4S/c1-3-4-12(2)17(14,15)11-9(13)7-5-8(10)16-6-7/h5-6H,3-4H2,1-2H3,(H,11,13).
What are the key properties of 5-bromo-N-[methyl(propyl)sulfamoyl]furan-3-carboxamide?
5-bromo-N-[methyl(propyl)sulfamoyl]furan-3-carboxamide has a molecular weight of 325.18 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[methyl(propyl)sulfamoyl]furan-3-carboxamide is sourced from PubChem (CID 71967961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).