3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid

C10H13FN2O4S — CID 114175610

IUPAC3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
SMILESCNS(=O)(=O)CCNc1c(F)cccc1C(=O)O
InChIInChI=1S/C10H13FN2O4S/c1-12-18(16,17)6-5-13-9-7(10(14)15)3-2-4-8(9)11/h2-4,12-13H,5-6H2,1H3,(H,14,15)
InChIKeyGHFJDGJCYWUGJK-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.49
Rot. Bonds6

About 3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid

3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid (PubChem CID 114175610) has the molecular formula C10H13FN2O4S and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
PubChem CID114175610
Molecular FormulaC10H13FN2O4S
Molecular Weight276.29 g/mol
Exact Mass276.06
IUPAC Name3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
SMILESCNS(=O)(=O)CCNc1c(F)cccc1C(=O)O
InChIInChI=1S/C10H13FN2O4S/c1-12-18(16,17)6-5-13-9-7(10(14)15)3-2-4-8(9)11/h2-4,12-13H,5-6H2,1H3,(H,14,15)
InChIKeyGHFJDGJCYWUGJK-UHFFFAOYSA-N
XLogP0.49
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-2-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106340868
3-fluoro-2-(4-hydroxybutylamino)benzoic acid
CID 106842392
3-fluoro-2-(2-phenylethylamino)benzoic acid
CID 62650969
3-fluoro-2-(2-methylpropylamino)benzoic acid
CID 62649634
3-fluoro-2-[(3-hydroxy-4-methoxybutyl)amino]benzoic acid
CID 114163756
2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106334730
2-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzamide
CID 106342576
3-fluoro-2-[2-(3-methylbutoxy)ethylamino]benzoic acid
CID 62649052
2-methyl-4-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 106339855
3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid
CID 62648664
3-fluoro-2-(2-prop-2-ynylsulfanylethylamino)benzoic acid
CID 106429473
3-fluoro-2-(hydroxyamino)benzoic acid
CID 82863522

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid?
The IUPAC name of 3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid (CID 114175610) is 3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid.
What is the SMILES notation for 3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid?
The canonical SMILES for 3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid is CNS(=O)(=O)CCNc1c(F)cccc1C(=O)O.
What is the InChIKey of 3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid?
The InChIKey is GHFJDGJCYWUGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4S/c1-12-18(16,17)6-5-13-9-7(10(14)15)3-2-4-8(9)11/h2-4,12-13H,5-6H2,1H3,(H,14,15).
What are the key properties of 3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid?
3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid has a molecular weight of 276.29 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid is sourced from PubChem (CID 114175610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).