2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid

C13H16FNO4S — CID 102919407

IUPAC2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid
SMILESCN(C1CCCC1)S(=O)(=O)c1cc(F)ccc1C(=O)O
InChIInChI=1S/C13H16FNO4S/c1-15(10-4-2-3-5-10)20(18,19)12-8-9(14)6-7-11(12)13(16)17/h6-8,10H,2-5H2,1H3,(H,16,17)
InChIKeyCSXDDAQRGPCSOJ-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.09
Rot. Bonds4

About 2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid

2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid (PubChem CID 102919407) has the molecular formula C13H16FNO4S and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid
PubChem CID102919407
Molecular FormulaC13H16FNO4S
Molecular Weight301.34 g/mol
Exact Mass301.08
IUPAC Name2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid
SMILESCN(C1CCCC1)S(=O)(=O)c1cc(F)ccc1C(=O)O
InChIInChI=1S/C13H16FNO4S/c1-15(10-4-2-3-5-10)20(18,19)12-8-9(14)6-7-11(12)13(16)17/h6-8,10H,2-5H2,1H3,(H,16,17)
InChIKeyCSXDDAQRGPCSOJ-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate
CID 113230618
2-[cycloheptyl(methyl)sulfamoyl]benzoic acid
CID 43613846
5-bromo-3-[cyclopentyl(methyl)sulfamoyl]-2-fluorobenzoic acid
CID 43267075
4-fluoro-2-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid
CID 106934695
2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide
CID 102921048
4-fluoro-2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid
CID 102919575
4-fluoro-2-methylsulfonylbenzoic acid
CID 54524852
4-fluoro-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 102919424
3-[cyclopentyl(methyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 43510499
4-fluoro-2-(2-methylazepan-1-yl)sulfonylbenzoic acid
CID 102919549
4-fluoro-2-(2-methylpyrrolidin-1-yl)sulfonylbenzoic acid
CID 102919474
2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60545461

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid?
The IUPAC name of 2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid (CID 102919407) is 2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid?
The canonical SMILES for 2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid is CN(C1CCCC1)S(=O)(=O)c1cc(F)ccc1C(=O)O.
What is the InChIKey of 2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid?
The InChIKey is CSXDDAQRGPCSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S/c1-15(10-4-2-3-5-10)20(18,19)12-8-9(14)6-7-11(12)13(16)17/h6-8,10H,2-5H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid?
2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid has a molecular weight of 301.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid is sourced from PubChem (CID 102919407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).