methyl 2-(2-ethoxypropylsulfamoyl)-4-fluorobenzoate

C13H18FNO5S — CID 103836092

IUPACmethyl 2-(2-ethoxypropylsulfamoyl)-4-fluorobenzoate
SMILESCCOC(C)CNS(=O)(=O)c1cc(F)ccc1C(=O)OC
InChIInChI=1S/C13H18FNO5S/c1-4-20-9(2)8-15-21(17,18)12-7-10(14)5-6-11(12)13(16)19-3/h5-7,9,15H,4,8H2,1-3H3
InChIKeyYHEPEPFDLJGZCP-UHFFFAOYSA-N
MW319.35 g/mol
LogP1.32
Rot. Bonds7

About methyl 2-(2-ethoxypropylsulfamoyl)-4-fluorobenzoate

methyl 2-(2-ethoxypropylsulfamoyl)-4-fluorobenzoate (PubChem CID 103836092) has the molecular formula C13H18FNO5S and a molecular weight of 319.35 g/mol. Its IUPAC name is methyl 2-(2-ethoxypropylsulfamoyl)-4-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-(2-ethoxypropylsulfamoyl)-4-fluorobenzoate
PubChem CID103836092
Molecular FormulaC13H18FNO5S
Molecular Weight319.35 g/mol
Exact Mass319.09
IUPAC Namemethyl 2-(2-ethoxypropylsulfamoyl)-4-fluorobenzoate
SMILESCCOC(C)CNS(=O)(=O)c1cc(F)ccc1C(=O)OC
InChIInChI=1S/C13H18FNO5S/c1-4-20-9(2)8-15-21(17,18)12-7-10(14)5-6-11(12)13(16)19-3/h5-7,9,15H,4,8H2,1-3H3
InChIKeyYHEPEPFDLJGZCP-UHFFFAOYSA-N
XLogP1.32
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate
CID 103833610
methyl 4-fluoro-2-(2-methylsulfanylpropylsulfamoyl)benzoate
CID 103837977
methyl 4-fluoro-2-(3-hydroxybutylsulfamoyl)benzoate
CID 103837921
methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate
CID 119973384
methyl 4-fluoro-2-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120715927
methyl 4-fluoro-2-(2-methylsulfanylethylsulfamoyl)benzoate
CID 103833416
methyl 4-fluoro-2-(1-methoxypropan-2-ylsulfamoyl)benzoate
CID 103833409
methyl 2-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-4-fluorobenzoate
CID 104858872
methyl 4-fluoro-2-(4-methoxybutylsulfamoyl)benzoate
CID 103833476
methyl 4-fluoro-2-[(4-hydroxy-3-methylbutan-2-yl)sulfamoyl]benzoate
CID 103835718
methyl 4-fluoro-2-[3-(methylamino)propylsulfamoyl]benzoate;hydrochloride
CID 119965118
methyl 4-amino-2-(2-methylpropylsulfamoyl)benzoate
CID 102930746

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethoxypropylsulfamoyl)-4-fluorobenzoate?
The IUPAC name of methyl 2-(2-ethoxypropylsulfamoyl)-4-fluorobenzoate (CID 103836092) is methyl 2-(2-ethoxypropylsulfamoyl)-4-fluorobenzoate.
What is the SMILES notation for methyl 2-(2-ethoxypropylsulfamoyl)-4-fluorobenzoate?
The canonical SMILES for methyl 2-(2-ethoxypropylsulfamoyl)-4-fluorobenzoate is CCOC(C)CNS(=O)(=O)c1cc(F)ccc1C(=O)OC.
What is the InChIKey of methyl 2-(2-ethoxypropylsulfamoyl)-4-fluorobenzoate?
The InChIKey is YHEPEPFDLJGZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO5S/c1-4-20-9(2)8-15-21(17,18)12-7-10(14)5-6-11(12)13(16)19-3/h5-7,9,15H,4,8H2,1-3H3.
What are the key properties of methyl 2-(2-ethoxypropylsulfamoyl)-4-fluorobenzoate?
methyl 2-(2-ethoxypropylsulfamoyl)-4-fluorobenzoate has a molecular weight of 319.35 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethoxypropylsulfamoyl)-4-fluorobenzoate is sourced from PubChem (CID 103836092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).