methyl 2-(cyclopentyloxysulfamoyl)benzoate

C13H17NO5S — CID 83229069

IUPACmethyl 2-(cyclopentyloxysulfamoyl)benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NOC1CCCC1
InChIInChI=1S/C13H17NO5S/c1-18-13(15)11-8-4-5-9-12(11)20(16,17)14-19-10-6-2-3-7-10/h4-5,8-10,14H,2-3,6-7H2,1H3
InChIKeyBRPJFUTWHFXFDF-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.63
Rot. Bonds5

About methyl 2-(cyclopentyloxysulfamoyl)benzoate

methyl 2-(cyclopentyloxysulfamoyl)benzoate (PubChem CID 83229069) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is methyl 2-(cyclopentyloxysulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(cyclopentyloxysulfamoyl)benzoate
PubChem CID83229069
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Namemethyl 2-(cyclopentyloxysulfamoyl)benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NOC1CCCC1
InChIInChI=1S/C13H17NO5S/c1-18-13(15)11-8-4-5-9-12(11)20(16,17)14-19-10-6-2-3-7-10/h4-5,8-10,14H,2-3,6-7H2,1H3
InChIKeyBRPJFUTWHFXFDF-UHFFFAOYSA-N
XLogP1.63
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.63
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)-4-fluorobenzoate
CID 102919619
methyl 2-[(4-cyclopentyloxyphenyl)sulfamoyl]benzoate
CID 55572892
methyl 2-[[(1R)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920550
methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920549
methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 103600987
methyl 2-[2-(cyclopropylamino)ethylsulfamoyl]benzoate
CID 62665529
methyl 2-[(cyclopropanecarbonylamino)sulfamoyl]benzoate
CID 8523828
methyl 2-(2-cyclopropylpropylsulfamoyl)benzoate
CID 103833526
methyl 2-(2-cyclopropylethylsulfamoyl)benzoate
CID 113318696
methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride
CID 119983872
N-cyclopentyloxy-2-nitrobenzenesulfonamide
CID 83228764
methyl 2-[(2-methylsulfanylcyclopentyl)sulfamoyl]benzoate
CID 103836287

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentyloxysulfamoyl)benzoate?
The IUPAC name of methyl 2-(cyclopentyloxysulfamoyl)benzoate (CID 83229069) is methyl 2-(cyclopentyloxysulfamoyl)benzoate.
What is the SMILES notation for methyl 2-(cyclopentyloxysulfamoyl)benzoate?
The canonical SMILES for methyl 2-(cyclopentyloxysulfamoyl)benzoate is COC(=O)c1ccccc1S(=O)(=O)NOC1CCCC1.
What is the InChIKey of methyl 2-(cyclopentyloxysulfamoyl)benzoate?
The InChIKey is BRPJFUTWHFXFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-18-13(15)11-8-4-5-9-12(11)20(16,17)14-19-10-6-2-3-7-10/h4-5,8-10,14H,2-3,6-7H2,1H3.
What are the key properties of methyl 2-(cyclopentyloxysulfamoyl)benzoate?
methyl 2-(cyclopentyloxysulfamoyl)benzoate has a molecular weight of 299.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopentyloxysulfamoyl)benzoate is sourced from PubChem (CID 83229069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).