4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid

C13H11F2NO6S — CID 99773706

IUPAC4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C13H11F2NO6S/c1-7-11(6-10(21-7)12(17)18)23(19,20)16-8-4-2-3-5-9(8)22-13(14)15/h2-6,13,16H,1H3,(H,17,18)
InChIKeyWQYBFWSQVCMKAH-UHFFFAOYSA-N
MW347.30 g/mol
LogP2.69
Rot. Bonds6

About 4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid

4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 99773706) has the molecular formula C13H11F2NO6S and a molecular weight of 347.30 g/mol. Its IUPAC name is 4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID99773706
Molecular FormulaC13H11F2NO6S
Molecular Weight347.30 g/mol
Exact Mass347.03
IUPAC Name4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C13H11F2NO6S/c1-7-11(6-10(21-7)12(17)18)23(19,20)16-8-4-2-3-5-9(8)22-13(14)15/h2-6,13,16H,1H3,(H,17,18)
InChIKeyWQYBFWSQVCMKAH-UHFFFAOYSA-N
XLogP2.69
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-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

4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62803239
N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide
CID 60532633
4-[(2-chloro-3-methylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 71867043
4-[(2-bromo-3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 103477725
N-[2-(difluoromethoxy)phenyl]benzenesulfonamide
CID 8504766
4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide
CID 22206102
5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide
CID 7940917
5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide
CID 8504794
5-methyl-4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]furan-2-carboxylic acid
CID 81392372
2-[[2-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid
CID 61454482
4-[[5-cyano-2-(methylamino)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 139011924
4-[(4-bromophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62803058

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid (CID 99773706) is 4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of 4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is WQYBFWSQVCMKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO6S/c1-7-11(6-10(21-7)12(17)18)23(19,20)16-8-4-2-3-5-9(8)22-13(14)15/h2-6,13,16H,1H3,(H,17,18).
What are the key properties of 4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 347.30 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 99773706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).