2-bromo-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid

C11H15BrN2O4S — CID 114176009

IUPAC2-bromo-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid
SMILESCCNS(=O)(=O)CCNc1ccc(C(=O)O)c(Br)c1
InChIInChI=1S/C11H15BrN2O4S/c1-2-14-19(17,18)6-5-13-8-3-4-9(11(15)16)10(12)7-8/h3-4,7,13-14H,2,5-6H2,1H3,(H,15,16)
InChIKeyAKNXYRJTZJWMMY-UHFFFAOYSA-N
MW351.22 g/mol
LogP1.50
Rot. Bonds7

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

2-bromo-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid (PubChem CID 114176009) has the molecular formula C11H15BrN2O4S and a molecular weight of 351.22 g/mol. Its IUPAC name is 2-bromo-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name2-bromo-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid
PubChem CID114176009
Molecular FormulaC11H15BrN2O4S
Molecular Weight351.22 g/mol
Exact Mass349.99
IUPAC Name2-bromo-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid
SMILESCCNS(=O)(=O)CCNc1ccc(C(=O)O)c(Br)c1
InChIInChI=1S/C11H15BrN2O4S/c1-2-14-19(17,18)6-5-13-8-3-4-9(11(15)16)10(12)7-8/h3-4,7,13-14H,2,5-6H2,1H3,(H,15,16)
InChIKeyAKNXYRJTZJWMMY-UHFFFAOYSA-N
XLogP1.50
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzoic acid
CID 106342808
3-[2-(ethylsulfamoyl)ethylamino]benzoic acid
CID 106342809
3-bromo-5-[2-(ethylsulfamoyl)ethylamino]benzoic acid
CID 106342816
2,4-dibromo-N-[2-(ethylsulfamoyl)ethyl]benzamide
CID 103882820
2-methyl-4-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 106339855
6-[2-(ethylsulfamoyl)ethylamino]-2-methylpyridine-3-carboxylic acid
CID 106339913
2-bromo-4-(2,2-dimethylbutylamino)benzoic acid
CID 107282368
2-bromo-4-(2-pyrazol-1-ylethylamino)benzoic acid
CID 107281839
N-ethyl-2-(4-methylsulfonylanilino)ethanesulfonamide
CID 106338116
2-bromo-4-[(3-hydroxy-4-methoxybutyl)amino]benzoic acid
CID 114163848
4-(benzylamino)-2-bromobenzoic acid
CID 107281682
N-ethyl-2-[4-(trifluoromethyl)anilino]ethanesulfonamide
CID 106338529

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid?
The IUPAC name of 2-bromo-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid (CID 114176009) is 2-bromo-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid.
What is the SMILES notation for 2-bromo-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid?
The canonical SMILES for 2-bromo-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid is CCNS(=O)(=O)CCNc1ccc(C(=O)O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid?
The InChIKey is AKNXYRJTZJWMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4S/c1-2-14-19(17,18)6-5-13-8-3-4-9(11(15)16)10(12)7-8/h3-4,7,13-14H,2,5-6H2,1H3,(H,15,16).
What are the key properties of 2-bromo-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid?
2-bromo-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid has a molecular weight of 351.22 g/mol, XLogP of 1.50, 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]benzoic acid is sourced from PubChem (CID 114176009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).