N-Acetylsulfanilic acid
Basic information
- CAS
121-62-0- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)O)cc1- InChIKey
ZQPVMSLLKQTRMG-UHFFFAOYSA-N- Molecular formula
- C8H9NO4S
- Average molar mass
- 215.23 g/mol
- Monoisotopic mass
- 215.02522894
Names & identifiers
- Preferred name
- N-Acetylsulfanilic acid
- IUPAC
- 4-acetamidobenzenesulfonic acid
- English name
- N-acetylsulphanilic acid
- Molecular formula
- C8H9NO4S
- Molecular weight
- 215.23
Names & synonyms
4-acetamidobenzenesulfonic acid121-62-0N-Acetylsulfanilic acidacetanilidsulfonic acid4-(ACETYLAMINO)BENZENESULFONIC ACIDN-p-acetylanilinosulfonic acidBenzenesulfonic acid, 4-(acetylamino)-9B6H3LU885EINECS 204-487-2DTXSID0059530N-ACETYLSULFANILIC ACID [MI]SULFADIMETHOXINE IMPURITY C [EP IMPURITY]
Show more names
N-AcetylsulphanilicAcetyl sulphanilic acidAcetanilide-p-sulfonic Acid4-AcetamidobenzenesulfonicaciSulfadimethoxine - Impurity CSulfamethoxazine EP Impurity C
SULFADIMETHOXINE SODIUM FOR VETERINARY USE IMPURITY C [EP IMPURITY]SULFADIMETHOXINE IMPURITY C (EP IMPURITY)SULFADIMETHOXINE SODIUM FOR VETERINARY USE IMPURITY C (EP IMPURITY)RefChem:828921DTXCID5033676N-Acetylsulphanilic acid4-acetamidobenzene-1-sulfonic acidSulfadimethoxine EP Impurity C
Database identifiers
- CAS
121-62-0- PubChem CID
- 8483
- DTXSID
DTXSID0059530- ChEMBL
CHEMBL131259- UNII
- 9B6H3LU885
- EC Number
- 204-487-2
- Nikkaji
- J5.343K
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 320 °C · 320 °C (decomp)
- Density
- 1.481 · 1.481±0.06 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- -0.53 · -0.53±0.50(Predicted)
- color
- Pale Brown to Beige
- Stability
- Hygroscopic
- FDA UNII
- 9 B6H3LU885 · 9B6H3LU885
- EPA Substance Registry System
- 4 · 4-(Acetylamino)benzenesulfonic acid (121-62-0)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4-(acetylamino)-: INACTIVE
Applications
Uses4-Acetamidobenzenesulfonic Acid is a metabolite of Sulfanilic acid.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
1 records
Compound notes
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