(Benzylamino)-(4-methoxyphenyl)methanesulfonic acid
Basic information
- CAS
7478-82-2- Standard SMILES
COc1ccc(C(NCc2ccccc2)S(=O)(=O)O)cc1- InChIKey
CDCQBCNZAIMCMX-UHFFFAOYSA-N- Molecular formula
- C15H17NO4S
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.0878292
Names & identifiers
- Preferred name
- (Benzylamino)-(4-methoxyphenyl)methanesulfonic acid
- IUPAC
- (benzylamino)-(4-methoxyphenyl)methanesulfonic acid
Names & synonyms
(benzylamino)-(4-methoxyphenyl)methanesulfonic acid7478-82-2NSC401545DTXSID50322567NSC-401545(BENZYLAMINO)(4-METHOXYPHENYL)METHANESULFONIC ACID
Database identifiers
- CAS
7478-82-2- PubChem CID
- 344571
- DTXSID
DTXSID50322567
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 392
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Related reactions
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Compound notes
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