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

C12H10FNO5S — CID 62803239

IUPAC4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C12H10FNO5S/c1-7-11(6-10(19-7)12(15)16)20(17,18)14-9-5-3-2-4-8(9)13/h2-6,14H,1H3,(H,15,16)
InChIKeyRUGCTQJJRMZHKX-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.23
Rot. Bonds4

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

4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 62803239) has the molecular formula C12H10FNO5S and a molecular weight of 299.28 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID62803239
Molecular FormulaC12H10FNO5S
Molecular Weight299.28 g/mol
Exact Mass299.03
IUPAC Name4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C12H10FNO5S/c1-7-11(6-10(19-7)12(15)16)20(17,18)14-9-5-3-2-4-8(9)13/h2-6,14H,1H3,(H,15,16)
InChIKeyRUGCTQJJRMZHKX-UHFFFAOYSA-N
XLogP2.23
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 99773706
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
4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63327927
3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 805440
4-[(4-bromophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62803058
4-[(3-chlorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805754
4-[(3-bromo-5-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 71867044
4-[[5-cyano-2-(methylamino)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 139011924
5-methyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
CID 62803253
4-[(3-ethynylphenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804129
5-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 110759379

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid (CID 62803239) is 4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is RUGCTQJJRMZHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO5S/c1-7-11(6-10(19-7)12(15)16)20(17,18)14-9-5-3-2-4-8(9)13/h2-6,14H,1H3,(H,15,16).
What are the key properties of 4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 299.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 62803239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).