4-bromo-3-(diethylsulfamoyl)benzoic acid

C11H14BrNO4S — CID 767901

IUPAC4-bromo-3-(diethylsulfamoyl)benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)O)ccc1Br
InChIInChI=1S/C11H14BrNO4S/c1-3-13(4-2)18(16,17)10-7-8(11(14)15)5-6-9(10)12/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyBEAOALAOZSAFEN-UHFFFAOYSA-N
MW336.21 g/mol
LogP2.18
Rot. Bonds5

About 4-bromo-3-(diethylsulfamoyl)benzoic acid

4-bromo-3-(diethylsulfamoyl)benzoic acid (PubChem CID 767901) has the molecular formula C11H14BrNO4S and a molecular weight of 336.21 g/mol. Its IUPAC name is 4-bromo-3-(diethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-bromo-3-(diethylsulfamoyl)benzoic acid
PubChem CID767901
Molecular FormulaC11H14BrNO4S
Molecular Weight336.21 g/mol
Exact Mass334.98
IUPAC Name4-bromo-3-(diethylsulfamoyl)benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)O)ccc1Br
InChIInChI=1S/C11H14BrNO4S/c1-3-13(4-2)18(16,17)10-7-8(11(14)15)5-6-9(10)12/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyBEAOALAOZSAFEN-UHFFFAOYSA-N
XLogP2.18
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(diethylsulfamoyl)benzoic acid?
The IUPAC name of 4-bromo-3-(diethylsulfamoyl)benzoic acid (CID 767901) is 4-bromo-3-(diethylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-bromo-3-(diethylsulfamoyl)benzoic acid?
The canonical SMILES for 4-bromo-3-(diethylsulfamoyl)benzoic acid is CCN(CC)S(=O)(=O)c1cc(C(=O)O)ccc1Br.
What is the InChIKey of 4-bromo-3-(diethylsulfamoyl)benzoic acid?
The InChIKey is BEAOALAOZSAFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4S/c1-3-13(4-2)18(16,17)10-7-8(11(14)15)5-6-9(10)12/h5-7H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 4-bromo-3-(diethylsulfamoyl)benzoic acid?
4-bromo-3-(diethylsulfamoyl)benzoic acid has a molecular weight of 336.21 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(diethylsulfamoyl)benzoic acid is sourced from PubChem (CID 767901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).