5-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid

C11H12BrNO6S — CID 62072595

IUPAC5-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid
SMILESCOC(=O)C(C)S(=O)(=O)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C11H12BrNO6S/c1-6(11(16)19-2)20(17,18)13-9-4-3-7(12)5-8(9)10(14)15/h3-6,13H,1-2H3,(H,14,15)
InChIKeyWZTRPOFYBULQJT-UHFFFAOYSA-N
MW366.19 g/mol
LogP1.45
Rot. Bonds5

About 5-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid

5-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid (PubChem CID 62072595) has the molecular formula C11H12BrNO6S and a molecular weight of 366.19 g/mol. Its IUPAC name is 5-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid
PubChem CID62072595
Molecular FormulaC11H12BrNO6S
Molecular Weight366.19 g/mol
Exact Mass364.96
IUPAC Name5-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid
SMILESCOC(=O)C(C)S(=O)(=O)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C11H12BrNO6S/c1-6(11(16)19-2)20(17,18)13-9-4-3-7(12)5-8(9)10(14)15/h3-6,13H,1-2H3,(H,14,15)
InChIKeyWZTRPOFYBULQJT-UHFFFAOYSA-N
XLogP1.45
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.19
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid
CID 61458795
5-bromo-2-(dimethylsulfamoylamino)benzoic acid
CID 55031300
5-bromo-2-(2-methylsulfonylpropanoylamino)benzoic acid
CID 104517555
2-[(5-bromo-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 54968220
5-bromo-2-(ethylsulfamoylamino)benzoic acid
CID 114805892
methyl 2-[(4-amino-2-methylphenyl)sulfamoyl]propanoate
CID 54951259
5-bromo-2-(propan-2-ylsulfonylamino)benzenecarbothioamide
CID 82704270
5-[(2-acetyl-4-bromophenyl)sulfamoyl]-2,4-dimethylbenzoic acid
CID 75454534
5-bromo-2-(3-methylbutan-2-ylamino)benzoic acid
CID 114895417
5-bromo-2-[(4-tert-butylphenyl)sulfonylamino]benzoic acid
CID 24762558
2-[(3-amino-2-methylbutanoyl)amino]-5-bromobenzoic acid
CID 113416305
methyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]propanoate
CID 116784844

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid?
The IUPAC name of 5-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid (CID 62072595) is 5-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 5-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid is COC(=O)C(C)S(=O)(=O)Nc1ccc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid?
The InChIKey is WZTRPOFYBULQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO6S/c1-6(11(16)19-2)20(17,18)13-9-4-3-7(12)5-8(9)10(14)15/h3-6,13H,1-2H3,(H,14,15).
What are the key properties of 5-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid?
5-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid has a molecular weight of 366.19 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 62072595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).