4-[(4-chloro-3-pyridinyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid

C12H11ClN2O5S — CID 83164861

IUPAC4-[(4-chloro-3-pyridinyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)Nc2cnccc2Cl)c1C(=O)O
InChIInChI=1S/C12H11ClN2O5S/c1-6-10(12(16)17)11(7(2)20-6)21(18,19)15-9-5-14-4-3-8(9)13/h3-5,15H,1-2H3,(H,16,17)
InChIKeyZQCAGQQNYRTBFO-UHFFFAOYSA-N
MW330.75 g/mol
LogP2.44
Rot. Bonds4

About 4-[(4-chloro-3-pyridinyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid

4-[(4-chloro-3-pyridinyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid (PubChem CID 83164861) has the molecular formula C12H11ClN2O5S and a molecular weight of 330.75 g/mol. Its IUPAC name is 4-[(4-chloro-3-pyridinyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-chloro-3-pyridinyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
PubChem CID83164861
Molecular FormulaC12H11ClN2O5S
Molecular Weight330.75 g/mol
Exact Mass330.01
IUPAC Name4-[(4-chloro-3-pyridinyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
SMILESCc1oc(C)c(S(=O)(=O)Nc2cnccc2Cl)c1C(=O)O
InChIInChI=1S/C12H11ClN2O5S/c1-6-10(12(16)17)11(7(2)20-6)21(18,19)15-9-5-14-4-3-8(9)13/h3-5,15H,1-2H3,(H,16,17)
InChIKeyZQCAGQQNYRTBFO-UHFFFAOYSA-N
XLogP2.44
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-pyridinyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid?
The IUPAC name of 4-[(4-chloro-3-pyridinyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid (CID 83164861) is 4-[(4-chloro-3-pyridinyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid.
What is the SMILES notation for 4-[(4-chloro-3-pyridinyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid?
The canonical SMILES for 4-[(4-chloro-3-pyridinyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid is Cc1oc(C)c(S(=O)(=O)Nc2cnccc2Cl)c1C(=O)O.
What is the InChIKey of 4-[(4-chloro-3-pyridinyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid?
The InChIKey is ZQCAGQQNYRTBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O5S/c1-6-10(12(16)17)11(7(2)20-6)21(18,19)15-9-5-14-4-3-8(9)13/h3-5,15H,1-2H3,(H,16,17).
What are the key properties of 4-[(4-chloro-3-pyridinyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid?
4-[(4-chloro-3-pyridinyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid has a molecular weight of 330.75 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-pyridinyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid is sourced from PubChem (CID 83164861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).