Sulfanilic acid, N-acetyl-, 2-pentyl ester
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Basic information
- CAS
23531-31-9- Standard SMILES
CCCC(C)OS(=O)(=O)c1ccc(NC(C)=O)cc1- InChIKey
HJEKITBPEBHUJX-UHFFFAOYSA-N- Molecular formula
- C13H19NO4S
- Average molar mass
- 285.36 g/mol
- Monoisotopic mass
- 285.10347926
Names & identifiers
- Preferred name
- Sulfanilic acid, N-acetyl-, 2-pentyl ester
- IUPAC
- pentan-2-yl 4-acetamidobenzenesulfonate
- English name
- 4-(Acetylamino)benzenesulfonic acid 1-methylbutyl ester
- Molecular formula
- C13H19NO4S
- Molecular weight
- 285.36
Names & synonyms
2-Phenyl-N-acetylsulfanilate23531-31-9BRN 2147274Sulfanilic acid, N-acetyl-, 2-pentyl esterRefChem:382538DTXSID00946292N-(4-{[(Pentan-2-yl)oxy]sulfonyl}phenyl)ethanimidic acidN-Acetylsulfanilic acid 1-methylbutyl ester4-(Acetylamino)benzenesulfonic acid 1-methylbutyl esterBenzenesulfonic acid, 4-(acetylamino)-, 1-methylbutyl ester
Database identifiers
- CAS
23531-31-9- PubChem CID
- 211730
- DTXSID
DTXSID00946292- Nikkaji
- J49.523I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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