3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopenta-2,4-diene-1-carboxylic acid

C18H14FNO4S — CID 23370544

IUPAC3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopenta-2,4-diene-1-carboxylic acid
SMILESNS(=O)(=O)c1ccc(C2=CC(C(=O)O)C=C2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H14FNO4S/c19-14-5-1-11(2-6-14)16-9-13(18(21)22)10-17(16)12-3-7-15(8-4-12)25(20,23)24/h1-10,13H,(H,21,22)(H2,20,23,24)
InChIKeyVVGFNRAJUSLIPJ-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.65
Rot. Bonds4

About 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopenta-2,4-diene-1-carboxylic acid

3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopenta-2,4-diene-1-carboxylic acid (PubChem CID 23370544) has the molecular formula C18H14FNO4S and a molecular weight of 359.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopenta-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopenta-2,4-diene-1-carboxylic acid
PubChem CID23370544
Molecular FormulaC18H14FNO4S
Molecular Weight359.38 g/mol
Exact Mass359.06
IUPAC Name3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopenta-2,4-diene-1-carboxylic acid
SMILESNS(=O)(=O)c1ccc(C2=CC(C(=O)O)C=C2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H14FNO4S/c19-14-5-1-11(2-6-14)16-9-13(18(21)22)10-17(16)12-3-7-15(8-4-12)25(20,23)24/h1-10,13H,(H,21,22)(H2,20,23,24)
InChIKeyVVGFNRAJUSLIPJ-UHFFFAOYSA-N
XLogP2.65
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(4-fluorophenyl)-4-(5-sulfamoyl-2-pyridinyl)cyclopenta-2,4-diene-1-carboxylate
CID 23370371
4-fluorobenzenesulfonamide;hydroiodide
CID 175106101
3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 45030518
benzenesulfonamide;4-fluorobenzenesulfonamide;bis(sulfuryl dichloride)
CID 174977525
N-(4-fluorophenyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508654
4-[5-[(4-fluorophenyl)methyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 67779954
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
2-fluoro-5-(4-sulfamoylphenyl)benzoic acid
CID 110453860
1-fluoro-4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]benzene
CID 23370408
2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide
CID 9035116
4-[3-(hydroxymethyl)-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopenta-1,4-dien-1-yl]benzenesulfonamide
CID 23370522
4-[4-(4-fluorophenyl)-2-methyl-5-oxo-2H-furan-3-yl]benzenesulfonamide
CID 20658572

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopenta-2,4-diene-1-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopenta-2,4-diene-1-carboxylic acid (CID 23370544) is 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopenta-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopenta-2,4-diene-1-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopenta-2,4-diene-1-carboxylic acid is NS(=O)(=O)c1ccc(C2=CC(C(=O)O)C=C2c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopenta-2,4-diene-1-carboxylic acid?
The InChIKey is VVGFNRAJUSLIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4S/c19-14-5-1-11(2-6-14)16-9-13(18(21)22)10-17(16)12-3-7-15(8-4-12)25(20,23)24/h1-10,13H,(H,21,22)(H2,20,23,24).
What are the key properties of 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopenta-2,4-diene-1-carboxylic acid?
3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopenta-2,4-diene-1-carboxylic acid has a molecular weight of 359.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(4-sulfamoylphenyl)cyclopenta-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 23370544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).