5-[(1-methylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid

C9H9N3O5S — CID 43535072

IUPAC5-[(1-methylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCn1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)cn1
InChIInChI=1S/C9H9N3O5S/c1-12-5-6(4-10-12)11-18(15,16)8-3-2-7(17-8)9(13)14/h2-5,11H,1H3,(H,13,14)
InChIKeyOILCLLZHFWJDHX-UHFFFAOYSA-N
MW271.25 g/mol
LogP0.51
Rot. Bonds4

About 5-[(1-methylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid

5-[(1-methylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 43535072) has the molecular formula C9H9N3O5S and a molecular weight of 271.25 g/mol. Its IUPAC name is 5-[(1-methylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID43535072
Molecular FormulaC9H9N3O5S
Molecular Weight271.25 g/mol
Exact Mass271.03
IUPAC Name5-[(1-methylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCn1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)cn1
InChIInChI=1S/C9H9N3O5S/c1-12-5-6(4-10-12)11-18(15,16)8-3-2-7(17-8)9(13)14/h2-5,11H,1H3,(H,13,14)
InChIKeyOILCLLZHFWJDHX-UHFFFAOYSA-N
XLogP0.51
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-Fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 71867045
4-[[1-(2,2-Difluoroethyl)pyrazol-3-yl]methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 146131001
5-[(2-Propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 43149865
5-[(1,3,5-Trimethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 43361758
5-(1H-pyrazol-4-ylsulfamoyl)furan-2-carboxylic acid
CID 43540189
5-[(1-Ethylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 43543589
5-(1-Pyrazol-1-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 43695761
5-[1-(1,5-Dimethylpyrazol-4-yl)ethylsulfamoyl]furan-2-carboxylic acid
CID 43697161
5-[[1-(2-Amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid
CID 43709804
5-[[1-(2-Methoxyethyl)pyrazol-4-yl]sulfamoyl]furan-2-carboxylic acid
CID 43715641
N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-sulfonamide
CID 51080622
Methyl 5-[(3-pyrazol-1-ylphenyl)sulfamoyl]furan-2-carboxylate
CID 53597644

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(1-methylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid (CID 43535072) is 5-[(1-methylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(1-methylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(1-methylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid is Cn1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)cn1.
What is the InChIKey of 5-[(1-methylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is OILCLLZHFWJDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O5S/c1-12-5-6(4-10-12)11-18(15,16)8-3-2-7(17-8)9(13)14/h2-5,11H,1H3,(H,13,14).
What are the key properties of 5-[(1-methylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid?
5-[(1-methylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 271.25 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 43535072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).