5-[(4-fluoro-3-methylphenyl)sulfamoyl]furan-2-carboxylic acid

C12H10FNO5S — CID 62811091

IUPAC5-[(4-fluoro-3-methylphenyl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)ccc1F
InChIInChI=1S/C12H10FNO5S/c1-7-6-8(2-3-9(7)13)14-20(17,18)11-5-4-10(19-11)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyJBBRXEHWUCAUMQ-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.23
Rot. Bonds4

About 5-[(4-fluoro-3-methylphenyl)sulfamoyl]furan-2-carboxylic acid

5-[(4-fluoro-3-methylphenyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 62811091) has the molecular formula C12H10FNO5S and a molecular weight of 299.28 g/mol. Its IUPAC name is 5-[(4-fluoro-3-methylphenyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluoro-3-methylphenyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID62811091
Molecular FormulaC12H10FNO5S
Molecular Weight299.28 g/mol
Exact Mass299.03
IUPAC Name5-[(4-fluoro-3-methylphenyl)sulfamoyl]furan-2-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)ccc1F
InChIInChI=1S/C12H10FNO5S/c1-7-6-8(2-3-9(7)13)14-20(17,18)11-5-4-10(19-11)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyJBBRXEHWUCAUMQ-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

5-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid
CID 104775672
5-[(4-fluoro-3-methoxyphenyl)sulfamoyl]furan-2-carboxylic acid
CID 114837506
4-[(4-fluoro-3-methylphenyl)sulfamoyl]benzoic acid
CID 62811238
5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 29077465
5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid
CID 115376501
5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid
CID 29077337
5-[(2-chloro-6-methylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 66254351
3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 62811245
3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 175722864
5-[(4-fluoro-3-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 62811098
3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813585
5-[(3-chloro-4-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62539404

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-3-methylphenyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(4-fluoro-3-methylphenyl)sulfamoyl]furan-2-carboxylic acid (CID 62811091) is 5-[(4-fluoro-3-methylphenyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(4-fluoro-3-methylphenyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(4-fluoro-3-methylphenyl)sulfamoyl]furan-2-carboxylic acid is Cc1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)ccc1F.
What is the InChIKey of 5-[(4-fluoro-3-methylphenyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is JBBRXEHWUCAUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO5S/c1-7-6-8(2-3-9(7)13)14-20(17,18)11-5-4-10(19-11)12(15)16/h2-6,14H,1H3,(H,15,16).
What are the key properties of 5-[(4-fluoro-3-methylphenyl)sulfamoyl]furan-2-carboxylic acid?
5-[(4-fluoro-3-methylphenyl)sulfamoyl]furan-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 5-[(4-fluoro-3-methylphenyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62811091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).