methyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate

C14H20FNO4S — CID 103833610

IUPACmethyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate
SMILESCCC(CC)CNS(=O)(=O)c1cc(F)ccc1C(=O)OC
InChIInChI=1S/C14H20FNO4S/c1-4-10(5-2)9-16-21(18,19)13-8-11(15)6-7-12(13)14(17)20-3/h6-8,10,16H,4-5,9H2,1-3H3
InChIKeyIEPORJWKGJLJHF-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.33
Rot. Bonds7

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

methyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate (PubChem CID 103833610) has the molecular formula C14H20FNO4S and a molecular weight of 317.38 g/mol. Its IUPAC name is methyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate
PubChem CID103833610
Molecular FormulaC14H20FNO4S
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Namemethyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate
SMILESCCC(CC)CNS(=O)(=O)c1cc(F)ccc1C(=O)OC
InChIInChI=1S/C14H20FNO4S/c1-4-10(5-2)9-16-21(18,19)13-8-11(15)6-7-12(13)14(17)20-3/h6-8,10,16H,4-5,9H2,1-3H3
InChIKeyIEPORJWKGJLJHF-UHFFFAOYSA-N
XLogP2.33
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-ethoxypropylsulfamoyl)-4-fluorobenzoate
CID 103836092
methyl 4-fluoro-2-(2-methylsulfanylpropylsulfamoyl)benzoate
CID 103837977
methyl 2-(2-ethylbutylsulfamoyl)benzoate
CID 115753533
methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate
CID 119973384
methyl 4-fluoro-2-(3-hydroxybutylsulfamoyl)benzoate
CID 103837921
methyl 4-fluoro-2-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120715927
methyl 4-fluoro-2-(2-methylsulfanylethylsulfamoyl)benzoate
CID 103833416
N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide
CID 84547716
methyl 4-fluoro-2-(4-methoxybutylsulfamoyl)benzoate
CID 103833476
methyl 4-fluoro-2-[3-(methylamino)propylsulfamoyl]benzoate;hydrochloride
CID 119965118
methyl 2-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-4-fluorobenzoate
CID 104858872
methyl 4-fluoro-2-(furan-3-ylmethylsulfamoyl)benzoate
CID 103833532

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate?
The IUPAC name of methyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate (CID 103833610) is methyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate.
What is the SMILES notation for methyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate?
The canonical SMILES for methyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate is CCC(CC)CNS(=O)(=O)c1cc(F)ccc1C(=O)OC.
What is the InChIKey of methyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate?
The InChIKey is IEPORJWKGJLJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO4S/c1-4-10(5-2)9-16-21(18,19)13-8-11(15)6-7-12(13)14(17)20-3/h6-8,10,16H,4-5,9H2,1-3H3.
What are the key properties of methyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate?
methyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate has a molecular weight of 317.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate is sourced from PubChem (CID 103833610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).