4-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid

C15H12FN3O5S — CID 71867045

IUPAC4-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1c(F)cccc1-n1cccn1
InChIInChI=1S/C15H12FN3O5S/c1-9-13(8-12(24-9)15(20)21)25(22,23)18-14-10(16)4-2-5-11(14)19-7-3-6-17-19/h2-8,18H,1H3,(H,20,21)
InChIKeyVNANEGUXEJBKOE-UHFFFAOYSA-N
MW365.34 g/mol
LogP2.41
Rot. Bonds5

About 4-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid

4-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 71867045) has the molecular formula C15H12FN3O5S and a molecular weight of 365.34 g/mol. Its IUPAC name is 4-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID71867045
Molecular FormulaC15H12FN3O5S
Molecular Weight365.34 g/mol
Exact Mass365.05
IUPAC Name4-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1c(F)cccc1-n1cccn1
InChIInChI=1S/C15H12FN3O5S/c1-9-13(8-12(24-9)15(20)21)25(22,23)18-14-10(16)4-2-5-11(14)19-7-3-6-17-19/h2-8,18H,1H3,(H,20,21)
InChIKeyVNANEGUXEJBKOE-UHFFFAOYSA-N
XLogP2.41
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid (CID 71867045) is 4-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1c(F)cccc1-n1cccn1.
What is the InChIKey of 4-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is VNANEGUXEJBKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O5S/c1-9-13(8-12(24-9)15(20)21)25(22,23)18-14-10(16)4-2-5-11(14)19-7-3-6-17-19/h2-8,18H,1H3,(H,20,21).
What are the key properties of 4-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 365.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 71867045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).