2-bromo-6-[2-(methylsulfamoyl)ethylamino]benzoic acid

C10H13BrN2O4S — CID 106342787

IUPAC2-bromo-6-[2-(methylsulfamoyl)ethylamino]benzoic acid
SMILESCNS(=O)(=O)CCNc1cccc(Br)c1C(=O)O
InChIInChI=1S/C10H13BrN2O4S/c1-12-18(16,17)6-5-13-8-4-2-3-7(11)9(8)10(14)15/h2-4,12-13H,5-6H2,1H3,(H,14,15)
InChIKeyKZNODUIBGHLVGN-UHFFFAOYSA-N
MW337.20 g/mol
LogP1.11
Rot. Bonds6

About 2-bromo-6-[2-(methylsulfamoyl)ethylamino]benzoic acid

2-bromo-6-[2-(methylsulfamoyl)ethylamino]benzoic acid (PubChem CID 106342787) has the molecular formula C10H13BrN2O4S and a molecular weight of 337.20 g/mol. Its IUPAC name is 2-bromo-6-[2-(methylsulfamoyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name2-bromo-6-[2-(methylsulfamoyl)ethylamino]benzoic acid
PubChem CID106342787
Molecular FormulaC10H13BrN2O4S
Molecular Weight337.20 g/mol
Exact Mass335.98
IUPAC Name2-bromo-6-[2-(methylsulfamoyl)ethylamino]benzoic acid
SMILESCNS(=O)(=O)CCNc1cccc(Br)c1C(=O)O
InChIInChI=1S/C10H13BrN2O4S/c1-12-18(16,17)6-5-13-8-4-2-3-7(11)9(8)10(14)15/h2-4,12-13H,5-6H2,1H3,(H,14,15)
InChIKeyKZNODUIBGHLVGN-UHFFFAOYSA-N
XLogP1.11
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-bromo-6-[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

2-bromo-6-(2-ethylsulfonylethylamino)benzoic acid
CID 114112444
2-bromo-6-(2-methylsulfanylethylamino)benzoic acid
CID 114888252
2-bromo-6-(pentylamino)benzoic acid
CID 114887851
2-bromo-6-(3-hydroxypentylamino)benzoic acid
CID 114888461
2-bromo-6-(7-methyloctylamino)benzoic acid
CID 107818190
2-bromo-6-(methylamino)benzoic acid
CID 114887837
5-bromo-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 106342777
2-bromo-6-(6-methylsulfanylhexylamino)benzoic acid
CID 114126407
2-bromo-6-(2-methylprop-2-enylamino)benzoic acid
CID 114888497
2-bromo-6-[2-(3-fluorophenyl)ethylamino]benzoic acid
CID 114887893
2-bromo-6-[3-(2-methoxyethoxy)propylamino]benzoic acid
CID 114098773
2-bromo-6-[(3-hydroxy-2,2-dimethylpropyl)amino]benzoic acid
CID 114888374

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[2-(methylsulfamoyl)ethylamino]benzoic acid?
The IUPAC name of 2-bromo-6-[2-(methylsulfamoyl)ethylamino]benzoic acid (CID 106342787) is 2-bromo-6-[2-(methylsulfamoyl)ethylamino]benzoic acid.
What is the SMILES notation for 2-bromo-6-[2-(methylsulfamoyl)ethylamino]benzoic acid?
The canonical SMILES for 2-bromo-6-[2-(methylsulfamoyl)ethylamino]benzoic acid is CNS(=O)(=O)CCNc1cccc(Br)c1C(=O)O.
What is the InChIKey of 2-bromo-6-[2-(methylsulfamoyl)ethylamino]benzoic acid?
The InChIKey is KZNODUIBGHLVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O4S/c1-12-18(16,17)6-5-13-8-4-2-3-7(11)9(8)10(14)15/h2-4,12-13H,5-6H2,1H3,(H,14,15).
What are the key properties of 2-bromo-6-[2-(methylsulfamoyl)ethylamino]benzoic acid?
2-bromo-6-[2-(methylsulfamoyl)ethylamino]benzoic acid has a molecular weight of 337.20 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[2-(methylsulfamoyl)ethylamino]benzoic acid is sourced from PubChem (CID 106342787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).