methyl 2-fluoro-6-[2-(methylamino)propylsulfamoyl]benzoate

C12H17FN2O4S — CID 120825283

IUPACmethyl 2-fluoro-6-[2-(methylamino)propylsulfamoyl]benzoate
SMILESCNC(C)CNS(=O)(=O)c1cccc(F)c1C(=O)OC
InChIInChI=1S/C12H17FN2O4S/c1-8(14-2)7-15-20(17,18)10-6-4-5-9(13)11(10)12(16)19-3/h4-6,8,14-15H,7H2,1-3H3
InChIKeyQXSPWYMYBALYDP-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.50
Rot. Bonds6

About methyl 2-fluoro-6-[2-(methylamino)propylsulfamoyl]benzoate

methyl 2-fluoro-6-[2-(methylamino)propylsulfamoyl]benzoate (PubChem CID 120825283) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is methyl 2-fluoro-6-[2-(methylamino)propylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-6-[2-(methylamino)propylsulfamoyl]benzoate
PubChem CID120825283
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Namemethyl 2-fluoro-6-[2-(methylamino)propylsulfamoyl]benzoate
SMILESCNC(C)CNS(=O)(=O)c1cccc(F)c1C(=O)OC
InChIInChI=1S/C12H17FN2O4S/c1-8(14-2)7-15-20(17,18)10-6-4-5-9(13)11(10)12(16)19-3/h4-6,8,14-15H,7H2,1-3H3
InChIKeyQXSPWYMYBALYDP-UHFFFAOYSA-N
XLogP0.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-aminobutylsulfamoyl)-6-fluorobenzoate
CID 119972822
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824589
methyl 2-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]-6-fluorobenzoate
CID 119985420
2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825556
methyl 5-[2-(methylamino)propylsulfamoyl]isoquinoline-1-carboxylate;hydrochloride
CID 120825306
2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824947
methyl 2-fluoro-6-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)benzoate
CID 120721448
2-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824888
methyl 5-methyl-2-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride
CID 120824725
2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825289
methyl 2-fluoro-6-(3-piperazin-1-ylpropylsulfamoyl)benzoate;dihydrochloride
CID 119994378
methyl 3,4-dimethyl-5-[2-(methylamino)propylsulfamoyl]benzoate;hydrochloride
CID 120824543

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-6-[2-(methylamino)propylsulfamoyl]benzoate?
The IUPAC name of methyl 2-fluoro-6-[2-(methylamino)propylsulfamoyl]benzoate (CID 120825283) is methyl 2-fluoro-6-[2-(methylamino)propylsulfamoyl]benzoate.
What is the SMILES notation for methyl 2-fluoro-6-[2-(methylamino)propylsulfamoyl]benzoate?
The canonical SMILES for methyl 2-fluoro-6-[2-(methylamino)propylsulfamoyl]benzoate is CNC(C)CNS(=O)(=O)c1cccc(F)c1C(=O)OC.
What is the InChIKey of methyl 2-fluoro-6-[2-(methylamino)propylsulfamoyl]benzoate?
The InChIKey is QXSPWYMYBALYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-8(14-2)7-15-20(17,18)10-6-4-5-9(13)11(10)12(16)19-3/h4-6,8,14-15H,7H2,1-3H3.
What are the key properties of methyl 2-fluoro-6-[2-(methylamino)propylsulfamoyl]benzoate?
methyl 2-fluoro-6-[2-(methylamino)propylsulfamoyl]benzoate has a molecular weight of 304.34 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-6-[2-(methylamino)propylsulfamoyl]benzoate is sourced from PubChem (CID 120825283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).