methyl 4-fluoro-2-[(2-methylcyclopropyl)sulfamoyl]benzoate

C12H14FNO4S — CID 102919514

IUPACmethyl 4-fluoro-2-[(2-methylcyclopropyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(F)cc1S(=O)(=O)NC1CC1C
InChIInChI=1S/C12H14FNO4S/c1-7-5-10(7)14-19(16,17)11-6-8(13)3-4-9(11)12(15)18-2/h3-4,6-7,10,14H,5H2,1-2H3
InChIKeyHEWVQQXVAIFZMA-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.30
Rot. Bonds4

About methyl 4-fluoro-2-[(2-methylcyclopropyl)sulfamoyl]benzoate

methyl 4-fluoro-2-[(2-methylcyclopropyl)sulfamoyl]benzoate (PubChem CID 102919514) has the molecular formula C12H14FNO4S and a molecular weight of 287.31 g/mol. Its IUPAC name is methyl 4-fluoro-2-[(2-methylcyclopropyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-2-[(2-methylcyclopropyl)sulfamoyl]benzoate
PubChem CID102919514
Molecular FormulaC12H14FNO4S
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC Namemethyl 4-fluoro-2-[(2-methylcyclopropyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(F)cc1S(=O)(=O)NC1CC1C
InChIInChI=1S/C12H14FNO4S/c1-7-5-10(7)14-19(16,17)11-6-8(13)3-4-9(11)12(15)18-2/h3-4,6-7,10,14H,5H2,1-2H3
InChIKeyHEWVQQXVAIFZMA-UHFFFAOYSA-N
XLogP1.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-fluoro-2-(oxan-4-ylsulfamoyl)benzoate
CID 103833498
methyl 4-fluoro-2-(thiolan-3-ylsulfamoyl)benzoate
CID 103836299
methyl 4-fluoro-2-[(1-methylpyrrolidin-3-yl)sulfamoyl]benzoate
CID 103833514
methyl 4-fluoro-2-[[(4R)-3-oxo-1,2-oxazolidin-4-yl]sulfamoyl]benzoate
CID 102919579
methyl 2-(cyclopentyloxysulfamoyl)-4-fluorobenzoate
CID 102919619
methyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate
CID 103833610
methyl 4-fluoro-2-(pyrrol-1-ylsulfamoyl)benzoate
CID 102919571
methyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate
CID 113230618
methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate
CID 119973384
methyl 2-(3-cyclopropylpropylsulfamoyl)-4-fluorobenzoate
CID 103833685
methyl 4-fluoro-2-(1-methoxypropan-2-ylsulfamoyl)benzoate
CID 103833409
methyl 4-fluoro-2-(2-methylsulfanylethylsulfamoyl)benzoate
CID 103833416

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2-[(2-methylcyclopropyl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-fluoro-2-[(2-methylcyclopropyl)sulfamoyl]benzoate (CID 102919514) is methyl 4-fluoro-2-[(2-methylcyclopropyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-fluoro-2-[(2-methylcyclopropyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-fluoro-2-[(2-methylcyclopropyl)sulfamoyl]benzoate is COC(=O)c1ccc(F)cc1S(=O)(=O)NC1CC1C.
What is the InChIKey of methyl 4-fluoro-2-[(2-methylcyclopropyl)sulfamoyl]benzoate?
The InChIKey is HEWVQQXVAIFZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4S/c1-7-5-10(7)14-19(16,17)11-6-8(13)3-4-9(11)12(15)18-2/h3-4,6-7,10,14H,5H2,1-2H3.
What are the key properties of methyl 4-fluoro-2-[(2-methylcyclopropyl)sulfamoyl]benzoate?
methyl 4-fluoro-2-[(2-methylcyclopropyl)sulfamoyl]benzoate has a molecular weight of 287.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-2-[(2-methylcyclopropyl)sulfamoyl]benzoate is sourced from PubChem (CID 102919514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).