5-bromo-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-2-carboxamide

C9H9BrN4O4S — CID 61128864

IUPAC5-bromo-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-2-carboxamide
SMILESCn1cc(S(N)(=O)=O)c(NC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C9H9BrN4O4S/c1-14-4-6(19(11,16)17)8(13-14)12-9(15)5-2-3-7(10)18-5/h2-4H,1H3,(H2,11,16,17)(H,12,13,15)
InChIKeyHSCFHRJYSTTWLF-UHFFFAOYSA-N
MW349.17 g/mol
LogP0.68
Rot. Bonds3

About 5-bromo-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-2-carboxamide

5-bromo-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-2-carboxamide (PubChem CID 61128864) has the molecular formula C9H9BrN4O4S and a molecular weight of 349.17 g/mol. Its IUPAC name is 5-bromo-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-2-carboxamide
PubChem CID61128864
Molecular FormulaC9H9BrN4O4S
Molecular Weight349.17 g/mol
Exact Mass347.95
IUPAC Name5-bromo-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-2-carboxamide
SMILESCn1cc(S(N)(=O)=O)c(NC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C9H9BrN4O4S/c1-14-4-6(19(11,16)17)8(13-14)12-9(15)5-2-3-7(10)18-5/h2-4H,1H3,(H2,11,16,17)(H,12,13,15)
InChIKeyHSCFHRJYSTTWLF-UHFFFAOYSA-N
XLogP0.68
TPSA120.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-2-carboxamide (CID 61128864) is 5-bromo-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-2-carboxamide is Cn1cc(S(N)(=O)=O)c(NC(=O)c2ccc(Br)o2)n1.
What is the InChIKey of 5-bromo-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-2-carboxamide?
The InChIKey is HSCFHRJYSTTWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O4S/c1-14-4-6(19(11,16)17)8(13-14)12-9(15)5-2-3-7(10)18-5/h2-4H,1H3,(H2,11,16,17)(H,12,13,15).
What are the key properties of 5-bromo-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-2-carboxamide?
5-bromo-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-2-carboxamide has a molecular weight of 349.17 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 61128864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).