3-fluoro-4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid

C10H11FN2O5S — CID 79187843

IUPAC3-fluoro-4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCNC(=O)CNS(=O)(=O)c1ccc(C(=O)O)cc1F
InChIInChI=1S/C10H11FN2O5S/c1-12-9(14)5-13-19(17,18)8-3-2-6(10(15)16)4-7(8)11/h2-4,13H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyGQSVKMKWGOWGNY-UHFFFAOYSA-N
MW290.27 g/mol
LogP-0.45
Rot. Bonds5

About 3-fluoro-4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid

3-fluoro-4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid (PubChem CID 79187843) has the molecular formula C10H11FN2O5S and a molecular weight of 290.27 g/mol. Its IUPAC name is 3-fluoro-4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
PubChem CID79187843
Molecular FormulaC10H11FN2O5S
Molecular Weight290.27 g/mol
Exact Mass290.04
IUPAC Name3-fluoro-4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCNC(=O)CNS(=O)(=O)c1ccc(C(=O)O)cc1F
InChIInChI=1S/C10H11FN2O5S/c1-12-9(14)5-13-19(17,18)8-3-2-6(10(15)16)4-7(8)11/h2-4,13H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyGQSVKMKWGOWGNY-UHFFFAOYSA-N
XLogP-0.45
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The IUPAC name of 3-fluoro-4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid (CID 79187843) is 3-fluoro-4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The canonical SMILES for 3-fluoro-4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid is CNC(=O)CNS(=O)(=O)c1ccc(C(=O)O)cc1F.
What is the InChIKey of 3-fluoro-4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The InChIKey is GQSVKMKWGOWGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O5S/c1-12-9(14)5-13-19(17,18)8-3-2-6(10(15)16)4-7(8)11/h2-4,13H,5H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 3-fluoro-4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
3-fluoro-4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid has a molecular weight of 290.27 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 79187843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).