3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid

C13H16FNO4S — CID 66031746

IUPAC3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NS(=O)(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO4S/c14-11-4-1-9(2-5-11)8-20(18,19)15-12-6-3-10(7-12)13(16)17/h1-2,4-5,10,12,15H,3,6-8H2,(H,16,17)
InChIKeyACOGNVNVYMCXNL-UHFFFAOYSA-N
MW301.34 g/mol
LogP1.50
Rot. Bonds5

About 3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid

3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 66031746) has the molecular formula C13H16FNO4S and a molecular weight of 301.34 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID66031746
Molecular FormulaC13H16FNO4S
Molecular Weight301.34 g/mol
Exact Mass301.08
IUPAC Name3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(NS(=O)(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO4S/c14-11-4-1-9(2-5-11)8-20(18,19)15-12-6-3-10(7-12)13(16)17/h1-2,4-5,10,12,15H,3,6-8H2,(H,16,17)
InChIKeyACOGNVNVYMCXNL-UHFFFAOYSA-N
XLogP1.50
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031561
N-(2-aminocyclopropyl)-1-(4-fluorophenyl)methanesulfonamide
CID 43597025
(3S,4R)-4-[(4-fluorophenyl)methylsulfonylamino]oxolane-3-carboxylic acid
CID 167938884
trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 97318343
3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 66032739
4-[(2-cyano-4-fluorophenyl)methylsulfonylamino]cyclohexane-1-carboxylic acid
CID 122071103
1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]methanesulfonamide
CID 31817470
2-[(4-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 81009457
3-(cyclopropylmethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 66032155
3-[(2,6-difluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66030948
4-(oxolan-3-ylsulfamoylmethyl)benzoic acid
CID 80716794
N-[4-(cyclopropanecarbonyl)phenyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110604230

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid (CID 66031746) is 3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(NS(=O)(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of 3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is ACOGNVNVYMCXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S/c14-11-4-1-9(2-5-11)8-20(18,19)15-12-6-3-10(7-12)13(16)17/h1-2,4-5,10,12,15H,3,6-8H2,(H,16,17).
What are the key properties of 3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid?
3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66031746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).