Basic information
- CAS
6306-16-7- Standard SMILES
CCCCNS(=O)(=O)c1ccc(C(=O)O)cc1- InChIKey
JQZRFJVMCABAPL-UHFFFAOYSA-N- Molecular formula
- C11H15NO4S
- Average molar mass
- 257.31 g/mol
- Monoisotopic mass
- 257.07217913
Names & identifiers
- Preferred name
- 4-(Butylsulfamoyl)benzoic acid
- IUPAC
- 4-(butylsulfamoyl)benzoic acid
- English name
- 4-(butylsulfamoyl)benzoic acid
- Molecular formula
- C11H15NO4S
- Molecular weight
- 257.31
Names & synonyms
4-(butylsulfamoyl)benzoic acid6306-16-74-(N-butylsulfamoyl)benzoic acidp-(Butylsulfamoyl)benzoic acidBenzoic acid,4-[(butylamino)sulfonyl]-DTXSID70281763JQZRFJVMCABAPL-UHFFFAOYSA-NNSC229634-(n-butylaminosulfonyl)benzoic acidNSC-22963AKOS0001659324-[(Butylamino)sulfonyl]benzoic acid #
Show more names
4-[(Butylamino)sulfonyl]benzoic acidBenzoic acid, 4-[(butylamino)sulfonyl]-
Database identifiers
- CAS
6306-16-7- PubChem CID
- 229347
- DTXSID
DTXSID70281763- Nikkaji
- J1.394.493H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Melting point
- 182 · 182-183 °C
- Boiling point
- 429.4 · 429.4±47.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- pka
- 3.54 · 3.54±0.10(Predicted)
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…