2-Bromo-5-(diethylsulfamoyl)benzoic acid
PubChem CID
767905
Structure
Molecular Formula
Synonyms
- 2-bromo-5-(diethylsulfamoyl)benzoic acid
- 22361-64-4
- 2-bromo-5-[(diethylamino)sulfonyl]benzoic acid
- Benzoic acid, 2-bromo-5-[(diethylamino)sulfonyl]-
- 2-Bromo-5-(N,N-diethylsulfamoyl)benzoic acid
Molecular Weight
336.20 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-07-08
- Modify:2025-01-18
Chemical Structure Depiction
2-bromo-5-(diethylsulfamoyl)benzoic acid
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C11H14BrNO4S/c1-3-13(4-2)18(16,17)8-5-6-10(12)9(7-8)11(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
SUMISZHUFQXXJD-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H14BrNO4S
Computed by PubChem 2.1 (PubChem release 2019.06.18)
22361-64-4
- 2-bromo-5-(diethylsulfamoyl)benzoic acid
- 22361-64-4
- 2-bromo-5-[(diethylamino)sulfonyl]benzoic acid
- Benzoic acid, 2-bromo-5-[(diethylamino)sulfonyl]-
- 2-Bromo-5-(N,N-diethylsulfamoyl)benzoic acid
- MFCD00760904
- Cambridge id 5317815
- Oprea1_116371
- Oprea1_766984
- DTXSID30354285
- AKOS000731344
- 2-Bromo-5-(N,N-diethylsulfamoyl)benzoicacid
- CS-0230473
- EN300-10413
- G23740
- AB00080450-01
- SR-01000399045
- SR-01000399045-1
- Z53036655
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
336.20 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
2
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
5
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
334.98269 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
334.98269 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
83.1 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
18
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
388
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=SUMISZHUFQXXJD-UHFFFAOYSA-N
- EPA DSSTox2-bromo-5-(diethylsulfamoyl)benzoic acidhttps://comptox.epa.gov/dashboard/DTXSID30354285
- Wikidata2-bromo-5-(diethylsulfamoyl)benzoic acidhttps://www.wikidata.org/wiki/Q82132335
- PubChem
- PATENTSCOPE (WIPO)SID 403391962https://pubchem.ncbi.nlm.nih.gov/substance/403391962
CONTENTS