5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid

C10H11N3O5S — CID 54896799

IUPAC5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid
SMILESCc1[nH]ncc1CNS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H11N3O5S/c1-6-7(4-11-13-6)5-12-19(16,17)9-3-2-8(18-9)10(14)15/h2-4,12H,5H2,1H3,(H,11,13)(H,14,15)
InChIKeyPHOJAGVADMCCOE-UHFFFAOYSA-N
MW285.28 g/mol
LogP0.49
Rot. Bonds5

About 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid

5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid (PubChem CID 54896799) has the molecular formula C10H11N3O5S and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid
PubChem CID54896799
Molecular FormulaC10H11N3O5S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid
SMILESCc1[nH]ncc1CNS(=O)(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C10H11N3O5S/c1-6-7(4-11-13-6)5-12-19(16,17)9-3-2-8(18-9)10(14)15/h2-4,12H,5H2,1H3,(H,11,13)(H,14,15)
InChIKeyPHOJAGVADMCCOE-UHFFFAOYSA-N
XLogP0.49
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid (CID 54896799) is 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid is Cc1[nH]ncc1CNS(=O)(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is PHOJAGVADMCCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5S/c1-6-7(4-11-13-6)5-12-19(16,17)9-3-2-8(18-9)10(14)15/h2-4,12H,5H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid?
5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 285.28 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 54896799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).