2,5-dimethyl-4-[(3-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid

C13H14N2O5S — CID 43319924

IUPAC2,5-dimethyl-4-[(3-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid
SMILESCc1cccnc1NS(=O)(=O)c1c(C)oc(C)c1C(=O)O
InChIInChI=1S/C13H14N2O5S/c1-7-5-4-6-14-12(7)15-21(18,19)11-9(3)20-8(2)10(11)13(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyCKJIVXYCCCQCAI-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.10
Rot. Bonds4

About 2,5-dimethyl-4-[(3-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid

2,5-dimethyl-4-[(3-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid (PubChem CID 43319924) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 2,5-dimethyl-4-[(3-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-4-[(3-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid
PubChem CID43319924
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name2,5-dimethyl-4-[(3-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid
SMILESCc1cccnc1NS(=O)(=O)c1c(C)oc(C)c1C(=O)O
InChIInChI=1S/C13H14N2O5S/c1-7-5-4-6-14-12(7)15-21(18,19)11-9(3)20-8(2)10(11)13(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyCKJIVXYCCCQCAI-UHFFFAOYSA-N
XLogP2.10
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[(3-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-4-[(3-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid (CID 43319924) is 2,5-dimethyl-4-[(3-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-4-[(3-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-4-[(3-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid is Cc1cccnc1NS(=O)(=O)c1c(C)oc(C)c1C(=O)O.
What is the InChIKey of 2,5-dimethyl-4-[(3-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid?
The InChIKey is CKJIVXYCCCQCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-7-5-4-6-14-12(7)15-21(18,19)11-9(3)20-8(2)10(11)13(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2,5-dimethyl-4-[(3-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid?
2,5-dimethyl-4-[(3-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid has a molecular weight of 310.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[(3-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 43319924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).