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

C14H18FNO4S — CID 103342452

IUPAC2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
SMILESCN(Cc1ccccc1F)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C14H18FNO4S/c1-16(9-10-5-2-3-7-12(10)15)21(19,20)13-8-4-6-11(13)14(17)18/h2-3,5,7,11,13H,4,6,8-9H2,1H3,(H,17,18)
InChIKeyZQINQJVKRHUARA-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.84
Rot. Bonds5

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

2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103342452) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
PubChem CID103342452
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
SMILESCN(Cc1ccccc1F)S(=O)(=O)C1CCCC1C(=O)O
InChIInChI=1S/C14H18FNO4S/c1-16(9-10-5-2-3-7-12(10)15)21(19,20)13-8-4-6-11(13)14(17)18/h2-3,5,7,11,13H,4,6,8-9H2,1H3,(H,17,18)
InChIKeyZQINQJVKRHUARA-UHFFFAOYSA-N
XLogP1.84
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[benzyl(methyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342230
2-[(4-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342880
trans-(1S,3S)-3-[(2-fluorophenyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124557491
2-[(3-fluorophenyl)-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342897
2-[(5-bromothiophen-3-yl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342818
2-[2-(2-fluorophenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042808
1-[(2-fluorophenyl)methyl-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79377102
2-amino-N-[(2-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119682173
2-[methyl(pyridin-2-yl)sulfamoyl]cyclopentane-1-carboxylic acid
CID 103342275
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
2-[ethyl-[(2-methylphenyl)methyl]sulfamoyl]cyclobutane-1-carboxylic acid
CID 167962572
1-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide
CID 19061841

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid (CID 103342452) is 2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid is CN(Cc1ccccc1F)S(=O)(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZQINQJVKRHUARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4S/c1-16(9-10-5-2-3-7-12(10)15)21(19,20)13-8-4-6-11(13)14(17)18/h2-3,5,7,11,13H,4,6,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid?
2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103342452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).