2-([(4-Methylphenyl)sulfonyl]amino)phenyl 4-methylbenzenesulfonate
Basic information
- CAS
81256-20-4- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
ZAPUUYNFQUEIBP-UHFFFAOYSA-N- Molecular formula
- C20H19NO5S2
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.07046505
Names & identifiers
- Preferred name
- 2-([(4-Methylphenyl)sulfonyl]amino)phenyl 4-methylbenzenesulfonate
- IUPAC
- [2-[(4-methylphenyl)sulfonylamino]phenyl] 4-methylbenzenesulfonate
- English name
- Benzenesulfonamide,4-methyl-N-[2-[[(4-methylphenyl)sulfonyl]oxy]phenyl]-
- Molecular formula
- C20H19NO5S2
- Molecular weight
- 417.49856
Names & synonyms
81256-20-42-([(4-Methylphenyl)sulfonyl]amino)phenyl 4-methylbenzenesulfonateDTXSID903009602-{[(4-methylphenyl)sulfonyl]amino}phenyl 4-methylbenzenesulfonate2-(((4-Methylphenyl)sulfonyl)amino)phenyl 4-methylbenzenesulfonateRefChem:249092DTXCID70252094NSC140195ZAPUUYNFQUEIBP-UHFFFAOYSA-NBenzenesulfonamide,4-methyl-N-[2-[[(4-methylphenyl)sulfonyl]oxy]phenyl]-NSC-140195o,N-Diparatoluenesulfonyl[2-aminophenol]
Show more names
DS-0070102-(4-Methylbenzene-1-sulfonamido)phenyl 4-methylbenzene-1-sulfonate2-([(4-Methylphenyl)sulfonyl]amino)phenyl 4-methylbenzenesulfonate #
Database identifiers
- CAS
81256-20-4- PubChem CID
- 284380
- DTXSID
DTXSID90300960- Nikkaji
- J953.261G
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 694
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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