5-methyl-4-[(2-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid

C10H11N3O5S — CID 55120115

IUPAC5-methyl-4-[(2-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccnn1C
InChIInChI=1S/C10H11N3O5S/c1-6-8(5-7(18-6)10(14)15)19(16,17)12-9-3-4-11-13(9)2/h3-5,12H,1-2H3,(H,14,15)
InChIKeySYDSPPXCKPVBMU-UHFFFAOYSA-N
MW285.28 g/mol
LogP0.82
Rot. Bonds4

About 5-methyl-4-[(2-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid

5-methyl-4-[(2-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 55120115) has the molecular formula C10H11N3O5S and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-methyl-4-[(2-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(2-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
PubChem CID55120115
Molecular FormulaC10H11N3O5S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name5-methyl-4-[(2-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccnn1C
InChIInChI=1S/C10H11N3O5S/c1-6-8(5-7(18-6)10(14)15)19(16,17)12-9-3-4-11-13(9)2/h3-5,12H,1-2H3,(H,14,15)
InChIKeySYDSPPXCKPVBMU-UHFFFAOYSA-N
XLogP0.82
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(2-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(2-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid (CID 55120115) is 5-methyl-4-[(2-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(2-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(2-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccnn1C.
What is the InChIKey of 5-methyl-4-[(2-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is SYDSPPXCKPVBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5S/c1-6-8(5-7(18-6)10(14)15)19(16,17)12-9-3-4-11-13(9)2/h3-5,12H,1-2H3,(H,14,15).
What are the key properties of 5-methyl-4-[(2-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid?
5-methyl-4-[(2-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 285.28 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(2-methylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 55120115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).