2-fluoro-5-[(3-methylsulfanylcyclopentyl)sulfamoyl]benzoic acid

C13H16FNO4S2 — CID 104655230

IUPAC2-fluoro-5-[(3-methylsulfanylcyclopentyl)sulfamoyl]benzoic acid
SMILESCSC1CCC(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)C1
InChIInChI=1S/C13H16FNO4S2/c1-20-9-3-2-8(6-9)15-21(18,19)10-4-5-12(14)11(7-10)13(16)17/h4-5,7-9,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyFPFANTKHPQEGBL-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.09
Rot. Bonds5

About 2-fluoro-5-[(3-methylsulfanylcyclopentyl)sulfamoyl]benzoic acid

2-fluoro-5-[(3-methylsulfanylcyclopentyl)sulfamoyl]benzoic acid (PubChem CID 104655230) has the molecular formula C13H16FNO4S2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-fluoro-5-[(3-methylsulfanylcyclopentyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(3-methylsulfanylcyclopentyl)sulfamoyl]benzoic acid
PubChem CID104655230
Molecular FormulaC13H16FNO4S2
Molecular Weight333.41 g/mol
Exact Mass333.05
IUPAC Name2-fluoro-5-[(3-methylsulfanylcyclopentyl)sulfamoyl]benzoic acid
SMILESCSC1CCC(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)C1
InChIInChI=1S/C13H16FNO4S2/c1-20-9-3-2-8(6-9)15-21(18,19)10-4-5-12(14)11(7-10)13(16)17/h4-5,7-9,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyFPFANTKHPQEGBL-UHFFFAOYSA-N
XLogP2.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid
CID 103091356
2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43081703
2-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid
CID 104654715
1-ethyl-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 104655228
N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
CID 106001324
5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfamoyl]-2-fluorobenzoic acid
CID 60707841
3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031557
2-fluoro-5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]benzoic acid
CID 104654829
2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543624
3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide
CID 106091483
2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43082280
5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid
CID 104655236

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(3-methylsulfanylcyclopentyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-fluoro-5-[(3-methylsulfanylcyclopentyl)sulfamoyl]benzoic acid (CID 104655230) is 2-fluoro-5-[(3-methylsulfanylcyclopentyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(3-methylsulfanylcyclopentyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(3-methylsulfanylcyclopentyl)sulfamoyl]benzoic acid is CSC1CCC(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)C1.
What is the InChIKey of 2-fluoro-5-[(3-methylsulfanylcyclopentyl)sulfamoyl]benzoic acid?
The InChIKey is FPFANTKHPQEGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S2/c1-20-9-3-2-8(6-9)15-21(18,19)10-4-5-12(14)11(7-10)13(16)17/h4-5,7-9,15H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-5-[(3-methylsulfanylcyclopentyl)sulfamoyl]benzoic acid?
2-fluoro-5-[(3-methylsulfanylcyclopentyl)sulfamoyl]benzoic acid has a molecular weight of 333.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(3-methylsulfanylcyclopentyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 104655230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).