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

C13H16FNO5S — CID 103091356

IUPAC2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid
SMILESCOC1CCC(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)C1
InChIInChI=1S/C13H16FNO5S/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)
InChIKeyPVRSUUPZFFINNK-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.37
Rot. Bonds5

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

2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid (PubChem CID 103091356) has the molecular formula C13H16FNO5S and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid
PubChem CID103091356
Molecular FormulaC13H16FNO5S
Molecular Weight317.34 g/mol
Exact Mass317.07
IUPAC Name2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid
SMILESCOC1CCC(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)C1
InChIInChI=1S/C13H16FNO5S/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)
InChIKeyPVRSUUPZFFINNK-UHFFFAOYSA-N
XLogP1.37
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-[(3-methylsulfanylcyclopentyl)sulfamoyl]benzoic acid
CID 104655230
3-hydroxy-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 114118203
3-acetyl-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 103082265
2-fluoro-5-[(2-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43081703
4-(2-hydroxyethyl)-N-(3-methoxycyclopentyl)benzenesulfonamide
CID 106002176
2-fluoro-5-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzoic acid
CID 104654715
N-(3-methoxycyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106093079
4-chloro-3-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid
CID 103091370
5-chloro-2-fluoro-N-(3-methoxycyclopentyl)benzamide
CID 103082452
4-fluoro-N-(3-methoxycyclobutyl)benzenesulfonamide
CID 104600641
3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031557
2-chloro-3-fluoro-5-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543624

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid (CID 103091356) is 2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid is COC1CCC(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)C1.
What is the InChIKey of 2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid?
The InChIKey is PVRSUUPZFFINNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO5S/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-methoxycyclopentyl)sulfamoyl]benzoic acid?
2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid has a molecular weight of 317.34 g/mol, XLogP of 1.37, 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-methoxycyclopentyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 103091356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).