4-[bis(2-methoxyethyl)sulfamoyl]benzoic Acid
Basic information
- CAS
328038-28-4- Standard SMILES
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)O)cc1- InChIKey
FUBAFUGQTVAQJR-UHFFFAOYSA-N- Molecular formula
- C13H19NO6S
- Average molar mass
- 317.36 g/mol
- Monoisotopic mass
- 317.0933085
Names & identifiers
- Preferred name
- 4-[bis(2-methoxyethyl)sulfamoyl]benzoic Acid
- IUPAC
- 4-[bis(2-methoxyethyl)sulfamoyl]benzoic acid
- English name
- 4-[Bis-(2-methoxy-ethyl)-sulfamoyl]-benzoic acid
- Molecular formula
- C13H19NO6S
- Molecular weight
- 317.36
Names & synonyms
4-[bis(2-methoxyethyl)sulfamoyl]benzoic Acid328038-28-44-(N,N-bis(2-methoxyethyl)sulfamoyl)benzoic acidDNA03828AKOS0001218344-[bis(2-methoxyethyl)sulfamoyl]benzoicAcidEN300-00387G19984F343645Z53038481F1386-0336IFLAB-BB F1386-0336
Show more names
4-[Bis-(2-methoxy-ethyl)-sulfamoyl]-benzoic acid4-([BIS(2-METHOXYETHYL)AMINO]SULFONYL)BENZOIC ACIDBenzoic acid, 4-[[bis(2-methoxyethyl)amino]sulfonyl]-
Database identifiers
- CAS
328038-28-4- PubChem CID
- 2049566
- EC Number
- 157-157-4
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- Boiling point
- 477.9 · 477.9±55.0 °C(Predicted)
- Density
- 1.288 · 1.288±0.06 g/cm3(Predicted)
- pka
- 3.65 · 3.65±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-(N,N-bis(2-Methoxyethyl)sulfamoyl)benzoic acid is used as a reactant in the discovery and initial development of a novel class of antibacterials: inhibitors of Staphylococcus aureus transcription/translation.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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