Methyl 3-(4-Methyl-N-phenylphenylsulfonamido)propanoate
Basic information
- CAS
17266-98-7- Standard SMILES
COC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1- InChIKey
PEYDYQUYJVXTOX-UHFFFAOYSA-N- Molecular formula
- C17H19NO4S
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.10347926
Names & identifiers
- Preferred name
- Methyl 3-(4-Methyl-N-phenylphenylsulfonamido)propanoate
- IUPAC
- methyl 3-(N-(4-methylphenyl)sulfonylanilino)propanoate
Names & synonyms
17266-98-7Methyl 3-(4-Methyl-N-phenylphenylsulfonamido)propanoateNSC147649DTXSID10938183NSC-147649DB-308265Methyl N-(4-methylbenzene-1-sulfonyl)-N-phenyl-beta-alaninate
Database identifiers
- CAS
17266-98-7- PubChem CID
- 287591
- DTXSID
DTXSID10938183
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 471
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Compound notes
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