3-(Diethylsulfamoyl)-4-methoxybenzoic acid
Basic information
- CAS
299181-34-3- Standard SMILES
CCN(CC)S(=O)(=O)c1cc(C(=O)O)ccc1OC- InChIKey
AJIWPCKBPCFECV-UHFFFAOYSA-N- Molecular formula
- C12H17NO5S
- Average molar mass
- 287.33 g/mol
- Monoisotopic mass
- 287.08274382
Names & identifiers
- Preferred name
- 3-(Diethylsulfamoyl)-4-methoxybenzoic acid
- IUPAC
- 3-(diethylsulfamoyl)-4-methoxybenzoic acid
- English name
- 3-(diethylsulfamoyl)-4-methoxybenzoic acid
- Molecular formula
- C12H17NO5S
- Molecular weight
- 287.33
Names & synonyms
3-(diethylsulfamoyl)-4-methoxybenzoic acid299181-34-3MFCD007609095316-26-73-diethylsulfamoyl-4-methoxybenzoic acid3-(diethylsulfamoyl)-4-methoxy-benzoic AcidOprea1_716171Oprea1_864368MLS000760512SCHEMBL7663794CHEMBL1372178DTXSID80967682
Show more names
Benzoic acid, 3-[(diethylamino)sulfonyl]-4-methoxy-
HMS1608M21HMS2754O18ZLA18134STK802629AKOS0010420433-(diethylsulfamoyl)-4-methoxybenzoicacidSMR000369777CS-0230468
Database identifiers
- CAS
299181-34-3、5316-26-7- PubChem CID
- 794499
- DTXSID
DTXSID80967682- ChEMBL
CHEMBL1372178
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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