Basic information
- CAS
547-35-3- Standard SMILES
CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)O)cc1- InChIKey
HLLSOEKIMZEGFV-UHFFFAOYSA-N- Molecular formula
- C15H23NO4S
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.13477939
Names & identifiers
- Preferred name
- 4-((Dibutylamino)sulfonyl)benzoic acid
- IUPAC
- 4-(dibutylsulfamoyl)benzoic acid
- English name
- p-(Dibutylsulfamoyl)benzoicacid
- Molecular formula
- C15H23NO4S
- Molecular weight
- 313.41
Names & synonyms
Antidipsin547-35-3LongacidButacid4-Carboxy-N,N-dibutylbenzenesulfonamideBenzoic acid, 4-((dibutylamino)sulfonyl)-9T0861AUZKNSC-49469Benzoic acid, 4-[(dibutylamino)sulfonyl]-4-((Dibutylamino)sulfonyl)benzoic acid4-[(dibutylamino)sulfonyl]benzoic acidRefChem:1069676
Show more names
p-(Dibutylsulfamoyl)benzoicacid
4-(N,N-dibutylsulfamoyl)benzoic acid4-(Dibutylsulfamoyl)benzoic acidBENZOIC ACID, p-(DIBUTYLSULFAMOYL)-p-(Dibutylsulfamyl)benzoic acidp-Carboxybenzenesulfodibutylamidep-(Dibutylsulfamoyl)benzoic acidNSC 49469NSC49469
Database identifiers
- CAS
547-35-3- PubChem CID
- 11032
- DTXSID
DTXSID80203153- UNII
- 9T0861AUZK
- Nikkaji
- J87.186I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 T0861AUZK · 9T0861AUZK
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in rat: 22mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intraperitoneal in rat: 22mg/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
武汉誉祥医药科技有限公司13971275651 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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