Basic information
- CAS
6937-70-8- Standard SMILES
O=C1C(Cl)=C(Nc2ccc(S(=O)(=O)c3ccc(NC4=C(Cl)C(=O)c5ccccc5C4=O)cc3)cc2)C(=O)c2ccccc21- InChIKey
PUJNJVCNZLKFBQ-UHFFFAOYSA-N- Molecular formula
- C32H18Cl2N2O6S
- Average molar mass
- 629.5 g/mol
- Monoisotopic mass
- 628.0262629
Names & identifiers
- Preferred name
- 1,4-Naphthoquinone, 2,2'-(sulfonylbis(p-phenyleneimino))bis(3-chloro-
- IUPAC
- 2-chloro-3-[4-[4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl]sulfonylanilino]naphthalene-1,4-dione
Names & synonyms
6937-70-8NSC 39355BRN 31164631,4-NAPHTHOQUINONE, 2,2'-(SULFONYLBIS(p-PHENYLENEIMINO))BIS(3-CHLORO-DTXSID802194562,2'-(Sulfonylbis(p-phenyleneimino))bis(3-chloro-1,4-naphthoquinone)4-14-00-00410 (Beilstein Handbook Reference)RefChem:220988DTXCID00141947NSC39355NSC-393552,2'-[Sulfonylbis(4,1-phenyleneimino)]bis(3-chloronaphthoquinone)
Show more names
2,2'-[Sulfonylbis(4,1-phenyleneazanediyl)]bis(3-chloronaphthalene-1,4-dione)2-chloro-3-[4-[4-[(3-chloro-1,4-dioxo-2-naphthyl)amino]phenyl]sulfonylanilino]naphthalene-1,4-dione
Database identifiers
- CAS
6937-70-8- PubChem CID
- 23366
- DTXSID
DTXSID80219456- Nikkaji
- J1.513.298A
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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