2-[(4-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid

C13H16FNO4S — CID 103342880

IUPAC2-[(4-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid
SMILESCN(c1ccc(F)cc1)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C13H16FNO4S/c1-15(10-7-5-9(14)6-8-10)20(18,19)12-4-2-3-11(12)13(16)17/h5-8,11-12H,2-4H2,1H3,(H,16,17)
InChIKeyIPYJJAVILKZNON-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.85
Rot. Bonds4

About 2-[(4-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid

2-[(4-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103342880) has the molecular formula C13H16FNO4S and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid
PubChem CID103342880
Molecular FormulaC13H16FNO4S
Molecular Weight301.34 g/mol
Exact Mass301.08
IUPAC Name2-[(4-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid
SMILESCN(c1ccc(F)cc1)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C13H16FNO4S/c1-15(10-7-5-9(14)6-8-10)20(18,19)12-4-2-3-11(12)13(16)17/h5-8,11-12H,2-4H2,1H3,(H,16,17)
InChIKeyIPYJJAVILKZNON-UHFFFAOYSA-N
XLogP1.85
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342897
2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342275
N-(4-fluorophenyl)-N-methylcyclopropanesulfonamide
CID 126770597
2-[(3-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342290
2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342452
2-[methyl-[1-(5-methylthiophen-2-yl)ethyl]sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342665
4-[cyclopropylsulfonyl(methyl)amino]benzoic acid
CID 104698286
2-[bis(cyclopropylmethyl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103343070
2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]sulfamoyl]cyclopentane-1-carboxylic acid
CID 103343090
(2R,3R)-1-[(4-fluorophenyl)methylsulfonyl]-2-methylpiperidine-3-carboxylic acid
CID 122105377
2-[ethyl(piperidin-4-yl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342770
cis-(1R,2S)-2-(4-fluorobenzoyl)cyclohexane-1-carboxylic acid
CID 2725092

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid (CID 103342880) is 2-[(4-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid is CN(c1ccc(F)cc1)S(=O)(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[(4-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is IPYJJAVILKZNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S/c1-15(10-7-5-9(14)6-8-10)20(18,19)12-4-2-3-11(12)13(16)17/h5-8,11-12H,2-4H2,1H3,(H,16,17).
What are the key properties of 2-[(4-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid?
2-[(4-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103342880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).