N-(3-benzothiazol-2-ylsulfanyl-4-hydroxy-naphthalen-1-yl)-4-methoxy-3-nitro-benzenesulfonamide
Basic information
- CAS
6214-76-2- Standard SMILES
COc1ccc(S(=O)(=O)Nc2cc(Sc3nc4ccccc4s3)c(O)c3ccccc23)cc1[N+](=O)[O-]- InChIKey
VEHSTCDTCDBZBS-UHFFFAOYSA-N- Molecular formula
- C24H17N3O6S3
- Average molar mass
- 539.6 g/mol
- Monoisotopic mass
- 539.02794879
Names & identifiers
- Preferred name
- N-(3-benzothiazol-2-ylsulfanyl-4-hydroxy-naphthalen-1-yl)-4-methoxy-3-nitro-benzenesulfonamide
- IUPAC
- N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxynaphthalen-1-yl]-4-methoxy-3-nitrobenzenesulfonamide
Names & synonyms
6214-76-2N-(3-benzothiazol-2-ylsulfanyl-4-hydroxy-naphthalen-1-yl)-4-methoxy-3-nitro-benzenesulfonamideN-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxynaphthalen-1-yl]-4-methoxy-3-nitrobenzenesulfonamideN-{3-[(1,3-Benzothiazol-2-yl)sulfanyl]-4-hydroxynaphthalen-1-yl}-4-methoxy-3-nitrobenzene-1-sulfonamideDTXSID50411783MFCD04577108AKOS001694752N-[3-(1,3-BENZOTHIAZOL-2-YLSULFANYL)-4-HYDROXYNAPHTHALEN-1-YL]-4-METHOXY-3-NITROBENZENE-1-SULFONAMIDE
Database identifiers
- CAS
6214-76-2- PubChem CID
- 5230968
- DTXSID
DTXSID50411783
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 883
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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