methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate

C11H15FN2O4S — CID 119973384

IUPACmethyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate
SMILESCNCCNS(=O)(=O)c1cc(F)ccc1C(=O)OC
InChIInChI=1S/C11H15FN2O4S/c1-13-5-6-14-19(16,17)10-7-8(12)3-4-9(10)11(15)18-2/h3-4,7,13-14H,5-6H2,1-2H3
InChIKeyRUTGAIJLUFDEEX-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.11
Rot. Bonds6

About methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate

methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate (PubChem CID 119973384) has the molecular formula C11H15FN2O4S and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate
PubChem CID119973384
Molecular FormulaC11H15FN2O4S
Molecular Weight290.32 g/mol
Exact Mass290.07
IUPAC Namemethyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate
SMILESCNCCNS(=O)(=O)c1cc(F)ccc1C(=O)OC
InChIInChI=1S/C11H15FN2O4S/c1-13-5-6-14-19(16,17)10-7-8(12)3-4-9(10)11(15)18-2/h3-4,7,13-14H,5-6H2,1-2H3
InChIKeyRUTGAIJLUFDEEX-UHFFFAOYSA-N
XLogP0.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-fluoro-2-[3-(methylamino)propylsulfamoyl]benzoate;hydrochloride
CID 119965118
methyl 4-fluoro-2-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120715927
methyl 4-fluoro-2-(2-methylsulfanylethylsulfamoyl)benzoate
CID 103833416
methyl 4-fluoro-2-(3-hydroxybutylsulfamoyl)benzoate
CID 103837921
methyl 4-fluoro-2-(4-methoxybutylsulfamoyl)benzoate
CID 103833476
methyl 2-(3-cyclopropylpropylsulfamoyl)-4-fluorobenzoate
CID 103833685
methyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate
CID 103833610
methyl 2-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-4-fluorobenzoate
CID 104858872
methyl 4-fluoro-2-(2-methylsulfanylpropylsulfamoyl)benzoate
CID 103837977
methyl 2-(2-ethoxypropylsulfamoyl)-4-fluorobenzoate
CID 103836092
2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 115752308
5-fluoro-2-(2-methoxyethoxy)-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708720

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate?
The IUPAC name of methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate (CID 119973384) is methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate.
What is the SMILES notation for methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate?
The canonical SMILES for methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate is CNCCNS(=O)(=O)c1cc(F)ccc1C(=O)OC.
What is the InChIKey of methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate?
The InChIKey is RUTGAIJLUFDEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4S/c1-13-5-6-14-19(16,17)10-7-8(12)3-4-9(10)11(15)18-2/h3-4,7,13-14H,5-6H2,1-2H3.
What are the key properties of methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate?
methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate has a molecular weight of 290.32 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate is sourced from PubChem (CID 119973384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).