2-bromo-4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzoic acid

C11H14BrFN2O4S — CID 106342808

IUPAC2-bromo-4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzoic acid
SMILESCCNS(=O)(=O)CCNc1ccc(C(=O)O)c(Br)c1F
InChIInChI=1S/C11H14BrFN2O4S/c1-2-15-20(18,19)6-5-14-8-4-3-7(11(16)17)9(12)10(8)13/h3-4,14-15H,2,5-6H2,1H3,(H,16,17)
InChIKeyUHXSPSYYBYLQSO-UHFFFAOYSA-N
MW369.21 g/mol
LogP1.64
Rot. Bonds7

About 2-bromo-4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzoic acid

2-bromo-4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzoic acid (PubChem CID 106342808) has the molecular formula C11H14BrFN2O4S and a molecular weight of 369.21 g/mol. Its IUPAC name is 2-bromo-4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-bromo-4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzoic acid
PubChem CID106342808
Molecular FormulaC11H14BrFN2O4S
Molecular Weight369.21 g/mol
Exact Mass367.98
IUPAC Name2-bromo-4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzoic acid
SMILESCCNS(=O)(=O)CCNc1ccc(C(=O)O)c(Br)c1F
InChIInChI=1S/C11H14BrFN2O4S/c1-2-15-20(18,19)6-5-14-8-4-3-7(11(16)17)9(12)10(8)13/h3-4,14-15H,2,5-6H2,1H3,(H,16,17)
InChIKeyUHXSPSYYBYLQSO-UHFFFAOYSA-N
XLogP1.64
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-bromo-4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzoic 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

2-bromo-3-fluoro-4-(2-methylsulfonylethylamino)benzoic acid
CID 107539900
2-bromo-3-fluoro-4-(propylamino)benzoic acid
CID 107539907
2-bromo-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid
CID 114176009
2-bromo-3-fluoro-4-(3,3,3-trifluoropropylamino)benzoic acid
CID 107540282
6-[2-(ethylsulfamoyl)ethylamino]-2-methylpyridine-3-carboxylic acid
CID 106339913
2-bromo-3-fluoro-4-(2-methylpropylamino)benzoic acid
CID 107539913
3-chloro-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid
CID 106342805
5-bromo-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 106342777
3-bromo-5-[2-(ethylsulfamoyl)ethylamino]benzoic acid
CID 106342816
2-bromo-3-fluoro-4-[2-(3-hydroxypropylsulfanyl)ethylamino]benzoic acid
CID 106307601
2-bromo-3-fluoro-4-(3-morpholin-4-ylpropylamino)benzoic acid
CID 107539960
2-bromo-3-fluoro-4-[2-(3-methylcyclohexyl)ethylamino]benzoic acid
CID 107540332

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzoic acid?
The IUPAC name of 2-bromo-4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzoic acid (CID 106342808) is 2-bromo-4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzoic acid.
What is the SMILES notation for 2-bromo-4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzoic acid?
The canonical SMILES for 2-bromo-4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzoic acid is CCNS(=O)(=O)CCNc1ccc(C(=O)O)c(Br)c1F.
What is the InChIKey of 2-bromo-4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzoic acid?
The InChIKey is UHXSPSYYBYLQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O4S/c1-2-15-20(18,19)6-5-14-8-4-3-7(11(16)17)9(12)10(8)13/h3-4,14-15H,2,5-6H2,1H3,(H,16,17).
What are the key properties of 2-bromo-4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzoic acid?
2-bromo-4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzoic acid has a molecular weight of 369.21 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzoic acid is sourced from PubChem (CID 106342808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).