5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid

C11H13BrN2O5S — CID 103101599

IUPAC5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid
SMILESCCN(CC(N)=O)S(=O)(=O)c1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C11H13BrN2O5S/c1-2-14(6-10(13)15)20(18,19)7-3-4-9(12)8(5-7)11(16)17/h3-5H,2,6H2,1H3,(H2,13,15)(H,16,17)
InChIKeyZQNHSFHRIDMVGK-UHFFFAOYSA-N
MW365.21 g/mol
LogP0.64
Rot. Bonds6

About 5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid

5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid (PubChem CID 103101599) has the molecular formula C11H13BrN2O5S and a molecular weight of 365.21 g/mol. Its IUPAC name is 5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid.

Molecular Properties

Compound Name5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid
PubChem CID103101599
Molecular FormulaC11H13BrN2O5S
Molecular Weight365.21 g/mol
Exact Mass363.97
IUPAC Name5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid
SMILESCCN(CC(N)=O)S(=O)(=O)c1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C11H13BrN2O5S/c1-2-14(6-10(13)15)20(18,19)7-3-4-9(12)8(5-7)11(16)17/h3-5H,2,6H2,1H3,(H2,13,15)(H,16,17)
InChIKeyZQNHSFHRIDMVGK-UHFFFAOYSA-N
XLogP0.64
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-methoxybenzoic acid
CID 103101553
2-bromo-5-(dipropylsulfamoyl)benzoic acid
CID 43216890
2-bromo-5-(dibutylsulfamoyl)benzoic acid
CID 20505984
2-bromo-5-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
CID 63954323
2-bromo-5-(diethylsulfamoyl)benzoate
CID 3668554
N-(2-amino-2-oxoethyl)-2-bromo-5-(diethylsulfamoyl)benzamide
CID 9296732
2-bromo-5-[2-cyanopropyl(ethyl)sulfamoyl]benzoic acid
CID 60951344
3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
CID 103101549
2-bromo-5-[methyl(propyl)sulfamoyl]benzoic acid
CID 43271131
5-amino-2-[(2-amino-2-oxoethyl)-ethylsulfamoyl]benzoic acid
CID 103100991
2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide
CID 103101045
2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 115328962

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid?
The IUPAC name of 5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid (CID 103101599) is 5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid.
What is the SMILES notation for 5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid?
The canonical SMILES for 5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid is CCN(CC(N)=O)S(=O)(=O)c1ccc(Br)c(C(=O)O)c1.
What is the InChIKey of 5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid?
The InChIKey is ZQNHSFHRIDMVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O5S/c1-2-14(6-10(13)15)20(18,19)7-3-4-9(12)8(5-7)11(16)17/h3-5H,2,6H2,1H3,(H2,13,15)(H,16,17).
What are the key properties of 5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid?
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid has a molecular weight of 365.21 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid is sourced from PubChem (CID 103101599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).