4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid

C13H16FNO4S — CID 63281293

IUPAC4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
SMILESCC1CCCC1NS(=O)(=O)c1cc(C(=O)O)ccc1F
InChIInChI=1S/C13H16FNO4S/c1-8-3-2-4-11(8)15-20(18,19)12-7-9(13(16)17)5-6-10(12)14/h5-8,11,15H,2-4H2,1H3,(H,16,17)
InChIKeyXDEDDDNVFFAWRK-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.99
Rot. Bonds4

About 4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid

4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid (PubChem CID 63281293) has the molecular formula C13H16FNO4S and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
PubChem CID63281293
Molecular FormulaC13H16FNO4S
Molecular Weight301.34 g/mol
Exact Mass301.08
IUPAC Name4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
SMILESCC1CCCC1NS(=O)(=O)c1cc(C(=O)O)ccc1F
InChIInChI=1S/C13H16FNO4S/c1-8-3-2-4-11(8)15-20(18,19)12-7-9(13(16)17)5-6-10(12)14/h5-8,11,15H,2-4H2,1H3,(H,16,17)
InChIKeyXDEDDDNVFFAWRK-UHFFFAOYSA-N
XLogP1.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 79187579
4-bromo-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281568
4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63277680
4-fluoro-3-[(2-methylcyclopentyl)amino]benzoic acid
CID 65043893
4-fluoro-N-(3-fluoro-4-methylphenyl)-3-[[(1S,2R)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 7032351
2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43081703
4-[(2,3-dimethylcyclopentyl)sulfamoyl]-3-fluorobenzoic acid
CID 79178105
3-fluoro-4-[(2-methoxycyclopentyl)sulfamoyl]benzoic acid
CID 79177880
4-fluoro-3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid
CID 107452900
4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 116528616
3-fluoro-4-[[(1S,2R)-2-(trifluoromethyl)cyclohexyl]sulfamoyl]benzoic acid
CID 100631857
3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-fluorobenzoic acid
CID 79188648

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid (CID 63281293) is 4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid is CC1CCCC1NS(=O)(=O)c1cc(C(=O)O)ccc1F.
What is the InChIKey of 4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid?
The InChIKey is XDEDDDNVFFAWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S/c1-8-3-2-4-11(8)15-20(18,19)12-7-9(13(16)17)5-6-10(12)14/h5-8,11,15H,2-4H2,1H3,(H,16,17).
What are the key properties of 4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid?
4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid has a molecular weight of 301.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 63281293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).