methyl 2-(cyclopentyloxysulfamoyl)-4-fluorobenzoate

C13H16FNO5S — CID 102919619

IUPACmethyl 2-(cyclopentyloxysulfamoyl)-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)cc1S(=O)(=O)NOC1CCCC1
InChIInChI=1S/C13H16FNO5S/c1-19-13(16)11-7-6-9(14)8-12(11)21(17,18)15-20-10-4-2-3-5-10/h6-8,10,15H,2-5H2,1H3
InChIKeyAWJZGMJLBMEQDH-UHFFFAOYSA-N
MW317.34 g/mol
LogP1.76
Rot. Bonds5

About methyl 2-(cyclopentyloxysulfamoyl)-4-fluorobenzoate

methyl 2-(cyclopentyloxysulfamoyl)-4-fluorobenzoate (PubChem CID 102919619) has the molecular formula C13H16FNO5S and a molecular weight of 317.34 g/mol. Its IUPAC name is methyl 2-(cyclopentyloxysulfamoyl)-4-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-(cyclopentyloxysulfamoyl)-4-fluorobenzoate
PubChem CID102919619
Molecular FormulaC13H16FNO5S
Molecular Weight317.34 g/mol
Exact Mass317.07
IUPAC Namemethyl 2-(cyclopentyloxysulfamoyl)-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)cc1S(=O)(=O)NOC1CCCC1
InChIInChI=1S/C13H16FNO5S/c1-19-13(16)11-7-6-9(14)8-12(11)21(17,18)15-20-10-4-2-3-5-10/h6-8,10,15H,2-5H2,1H3
InChIKeyAWJZGMJLBMEQDH-UHFFFAOYSA-N
XLogP1.76
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(cyclopentyloxysulfamoyl)benzoate
CID 83229069
methyl 4-fluoro-2-(oxan-4-ylsulfamoyl)benzoate
CID 103833498
2-chloro-N-cyclopentyloxy-4-fluorobenzenesulfonamide
CID 83229495
methyl 4-fluoro-2-[(2-methylcyclopropyl)sulfamoyl]benzoate
CID 102919514
methyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate
CID 113230618
methyl 4-fluoro-2-(thiolan-3-ylsulfamoyl)benzoate
CID 103836299
methyl 2-(3-cyclopropylpropylsulfamoyl)-4-fluorobenzoate
CID 103833685
methyl 4-fluoro-2-[(1-methylpyrrolidin-3-yl)sulfamoyl]benzoate
CID 103833514
methyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate
CID 103833610
methyl 4-fluoro-2-(pyrrol-1-ylsulfamoyl)benzoate
CID 102919571
methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate
CID 119973384
methyl 2-[cyclopropylmethyl(ethyl)sulfamoyl]-4-fluorobenzoate
CID 102919539

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentyloxysulfamoyl)-4-fluorobenzoate?
The IUPAC name of methyl 2-(cyclopentyloxysulfamoyl)-4-fluorobenzoate (CID 102919619) is methyl 2-(cyclopentyloxysulfamoyl)-4-fluorobenzoate.
What is the SMILES notation for methyl 2-(cyclopentyloxysulfamoyl)-4-fluorobenzoate?
The canonical SMILES for methyl 2-(cyclopentyloxysulfamoyl)-4-fluorobenzoate is COC(=O)c1ccc(F)cc1S(=O)(=O)NOC1CCCC1.
What is the InChIKey of methyl 2-(cyclopentyloxysulfamoyl)-4-fluorobenzoate?
The InChIKey is AWJZGMJLBMEQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO5S/c1-19-13(16)11-7-6-9(14)8-12(11)21(17,18)15-20-10-4-2-3-5-10/h6-8,10,15H,2-5H2,1H3.
What are the key properties of methyl 2-(cyclopentyloxysulfamoyl)-4-fluorobenzoate?
methyl 2-(cyclopentyloxysulfamoyl)-4-fluorobenzoate has a molecular weight of 317.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopentyloxysulfamoyl)-4-fluorobenzoate is sourced from PubChem (CID 102919619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).