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

C13H16FNO4S — CID 114543676

IUPAC3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
SMILESCC1CCC(NS(=O)(=O)c2ccc(C(=O)O)cc2F)C1
InChIInChI=1S/C13H16FNO4S/c1-8-2-4-10(6-8)15-20(18,19)12-5-3-9(13(16)17)7-11(12)14/h3,5,7-8,10,15H,2,4,6H2,1H3,(H,16,17)
InChIKeyIJEKJJTUYWTTTI-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.99
Rot. Bonds4

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

3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzoic acid (PubChem CID 114543676) has the molecular formula C13H16FNO4S and a molecular weight of 301.34 g/mol. Its IUPAC name is 3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
PubChem CID114543676
Molecular FormulaC13H16FNO4S
Molecular Weight301.34 g/mol
Exact Mass301.08
IUPAC Name3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
SMILESCC1CCC(NS(=O)(=O)c2ccc(C(=O)O)cc2F)C1
InChIInChI=1S/C13H16FNO4S/c1-8-2-4-10(6-8)15-20(18,19)12-5-3-9(13(16)17)7-11(12)14/h3,5,7-8,10,15H,2,4,6H2,1H3,(H,16,17)
InChIKeyIJEKJJTUYWTTTI-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-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 79180239
3-fluoro-4-methyl-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543620
3-fluoro-4-[(2-methyloxan-4-yl)sulfamoyl]benzoic acid
CID 104654796
4-bromo-3-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543645
4-(cyclohexylsulfamoyl)-3-fluorobenzoic acid
CID 79187274
N-[3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetamide
CID 114545154
3-fluoro-4-(oxan-4-ylsulfamoyl)benzoic acid
CID 79187362
3-fluoro-4-(piperidin-4-ylsulfamoyl)benzoic acid
CID 79187645
3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride
CID 114546471
3-amino-4-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
CID 81466551
4-[(2,3-dimethylcyclopentyl)sulfamoyl]-3-fluorobenzoic acid
CID 79178105
3-fluoro-4-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 79187579

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzoic acid (CID 114543676) is 3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzoic acid is CC1CCC(NS(=O)(=O)c2ccc(C(=O)O)cc2F)C1.
What is the InChIKey of 3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzoic acid?
The InChIKey is IJEKJJTUYWTTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S/c1-8-2-4-10(6-8)15-20(18,19)12-5-3-9(13(16)17)7-11(12)14/h3,5,7-8,10,15H,2,4,6H2,1H3,(H,16,17).
What are the key properties of 3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzoic acid?
3-fluoro-4-[(3-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 3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 114543676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).