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

C13H14N2O5S — CID 43319923

IUPAC2,5-dimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid
SMILESCc1ccc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)O)nc1
InChIInChI=1S/C13H14N2O5S/c1-7-4-5-10(14-6-7)15-21(18,19)12-9(3)20-8(2)11(12)13(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyWASCXDCGQBDSMN-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.10
Rot. Bonds4

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

2,5-dimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid (PubChem CID 43319923) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is 2,5-dimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid
PubChem CID43319923
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name2,5-dimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid
SMILESCc1ccc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)O)nc1
InChIInChI=1S/C13H14N2O5S/c1-7-4-5-10(14-6-7)15-21(18,19)12-9(3)20-8(2)11(12)13(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyWASCXDCGQBDSMN-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2,5-dimethyl-4-[[methyl-(5-nitro-2-pyridinyl)amino]sulfamoyl]furan-3-carboxylate
CID 2742942
Methyl 2,5-dimethyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]sulfonyl]furan-3-carboxylate
CID 2815716
5-[[(5-Fluoro-3-pyridinyl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 61783394
4-[(5-Fluoro-2-pyridinyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 65482041
5-[[(3-Fluoro-2-pyridinyl)sulfonylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 103298739
N-(3-fluoro-4-pyridinyl)-4-(hydroxymethyl)-2,5-dimethylfuran-3-sulfonamide
CID 106000437
4-[(3-Fluoro-4-pyridinyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 107594782
4-[(6-Fluoro-3-pyridinyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 108201371
4-[(6-Fluoro-2-pyridinyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 116812714
N-(5-tert-butyl-2-pyridinyl)-5-(trifluoromethyl)furan-2-sulfonamide
CID 167891532
2-[4-(5-Methylfuran-2-yl)sulfonylpiperazin-1-yl]pyridine-4-carboxylic acid
CID 175952609
5-(Pyridin-2-ylsulfamoyl)furan-2-carboxylic acid
CID 1322341

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid (CID 43319923) is 2,5-dimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid is Cc1ccc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)O)nc1.
What is the InChIKey of 2,5-dimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid?
The InChIKey is WASCXDCGQBDSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-7-4-5-10(14-6-7)15-21(18,19)12-9(3)20-8(2)11(12)13(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2,5-dimethyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid?
2,5-dimethyl-4-[(5-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-[(5-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 43319923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).