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

C12H10FNO6S — CID 114837506

IUPAC5-[(4-fluoro-3-methoxyphenyl)sulfamoyl]furan-2-carboxylic acid
SMILESCOc1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)ccc1F
InChIInChI=1S/C12H10FNO6S/c1-19-10-6-7(2-3-8(10)13)14-21(17,18)11-5-4-9(20-11)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyGRPCSSGCEDEMOG-UHFFFAOYSA-N
MW315.28 g/mol
LogP1.93
Rot. Bonds5

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

5-[(4-fluoro-3-methoxyphenyl)sulfamoyl]furan-2-carboxylic acid (PubChem CID 114837506) has the molecular formula C12H10FNO6S and a molecular weight of 315.28 g/mol. Its IUPAC name is 5-[(4-fluoro-3-methoxyphenyl)sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluoro-3-methoxyphenyl)sulfamoyl]furan-2-carboxylic acid
PubChem CID114837506
Molecular FormulaC12H10FNO6S
Molecular Weight315.28 g/mol
Exact Mass315.02
IUPAC Name5-[(4-fluoro-3-methoxyphenyl)sulfamoyl]furan-2-carboxylic acid
SMILESCOc1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)ccc1F
InChIInChI=1S/C12H10FNO6S/c1-19-10-6-7(2-3-8(10)13)14-21(17,18)11-5-4-9(20-11)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyGRPCSSGCEDEMOG-UHFFFAOYSA-N
XLogP1.93
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-fluoro-3-methylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 62811091
5-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid
CID 104775672
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 114840301
5-[4-[(4-acetamidophenyl)sulfonylamino]-2-methoxyphenyl]furan-2-carboxylic acid
CID 91688093
5-[(3-ethylphenyl)sulfamoyl]furan-2-carboxylic acid
CID 29077465
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 119041012
5-[[3-(dimethylamino)phenyl]sulfamoyl]furan-2-carboxylic acid
CID 115376501
3-amino-N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 114837025
5-(pyridin-4-ylsulfamoyl)furan-2-carboxylic acid
CID 29077337
3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837099
2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837085
N-(4-fluoro-3-methoxyphenyl)-4-nitrobenzenesulfonamide
CID 124620748

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-3-methoxyphenyl)sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(4-fluoro-3-methoxyphenyl)sulfamoyl]furan-2-carboxylic acid (CID 114837506) is 5-[(4-fluoro-3-methoxyphenyl)sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(4-fluoro-3-methoxyphenyl)sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(4-fluoro-3-methoxyphenyl)sulfamoyl]furan-2-carboxylic acid is COc1cc(NS(=O)(=O)c2ccc(C(=O)O)o2)ccc1F.
What is the InChIKey of 5-[(4-fluoro-3-methoxyphenyl)sulfamoyl]furan-2-carboxylic acid?
The InChIKey is GRPCSSGCEDEMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO6S/c1-19-10-6-7(2-3-8(10)13)14-21(17,18)11-5-4-9(20-11)12(15)16/h2-6,14H,1H3,(H,15,16).
What are the key properties of 5-[(4-fluoro-3-methoxyphenyl)sulfamoyl]furan-2-carboxylic acid?
5-[(4-fluoro-3-methoxyphenyl)sulfamoyl]furan-2-carboxylic acid has a molecular weight of 315.28 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-3-methoxyphenyl)sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 114837506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).