N-[(4-Chlorophenyl)methyl]-4-methyl-N-(4-methylbenzene-1-sulfonyl)benzene-1-sulfonamide
Basic information
- CAS
67536-98-5- Standard SMILES
Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
USRVQNOSXOWLCM-UHFFFAOYSA-N- Molecular formula
- C21H20ClNO4S2
- Average molar mass
- 450 g/mol
- Monoisotopic mass
- 449.0522282
Names & identifiers
- Preferred name
- N-[(4-Chlorophenyl)methyl]-4-methyl-N-(4-methylbenzene-1-sulfonyl)benzene-1-sulfonamide
- IUPAC
- N-[(4-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
Names & synonyms
67536-98-5NSC273936DTXSID90313656NSC-273936N-[(4-Chlorophenyl)methyl]-4-methyl-N-(4-methylbenzene-1-sulfonyl)benzene-1-sulfonamide
Database identifiers
- CAS
67536-98-5- PubChem CID
- 321640
- DTXSID
DTXSID90313656
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 668
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Compound notes
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