5-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid

C11H13N3O5S — CID 43149865

IUPAC5-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCC(C)n1nccc1NS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H13N3O5S/c1-7(2)14-9(5-6-12-14)13-20(17,18)10-4-3-8(19-10)11(15)16/h3-7,13H,1-2H3,(H,15,16)
InChIKeyNTNSWECYYCVWFD-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.56
Rot. Bonds5

About 5-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid

5-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 43149865) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 5-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID43149865
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name5-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCC(C)n1nccc1NS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H13N3O5S/c1-7(2)14-9(5-6-12-14)13-20(17,18)10-4-3-8(19-10)11(15)16/h3-7,13H,1-2H3,(H,15,16)
InChIKeyNTNSWECYYCVWFD-UHFFFAOYSA-N
XLogP1.56
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 62803072
5-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylfuran-2-carboxylic acid
CID 63943347
5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid
CID 29077337
5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63327974
4-cyano-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 24708299
5-(pyridin-2-ylsulfamoyl)furan-2-carboxylic acid
CID 1322341
5-chloro-6-hydrazinyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-sulfonamide
CID 64607395
3-(1-aminoethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 43107586
5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
5-(pentan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 43149833
5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 66254351
(2S)-2-benzylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 99841181

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid (CID 43149865) is 5-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid is CC(C)n1nccc1NS(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is NTNSWECYYCVWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-7(2)14-9(5-6-12-14)13-20(17,18)10-4-3-8(19-10)11(15)16/h3-7,13H,1-2H3,(H,15,16).
What are the key properties of 5-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
5-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 43149865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).